SCHEMBL19986493

SCHEMBL19986493

CC(C)c1ccnc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
GCGR P47871 1/20 0.30
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15922192 0.80 LMNA (0.36) LMNAGABRA1GABRB1RXFP1
SCHEMBL23022509 0.80 CYP2A6 (0.33) LMNAGABRA1GABRB1
SCHEMBL28957982 0.79 CCR4 (0.31)
SCHEMBL21776103 0.79 TSHR (0.38) TSHR
SCHEMBL17485197 0.78 GABRA1 (0.46) LMNAGABRA1GABRB1CYP3A4MAPT
SCHEMBL15614473 0.78 RPS6KA3 (0.37) GABRA1GABRB1GCGR
SCHEMBL20010424 0.78 NOS2 (0.39) GABRA1CYP3A4CYP1A2GABRB2
SCHEMBL2737298 0.78 AAK1 (0.34) LMNAGABRA1GABRB1GCGR
SCHEMBL19913884 0.78 NOS3 (0.34) LMNAGABRA1GABRB1HPGD
SCHEMBL845386 0.77 AAK1 (0.31) LMNACYP3A4MAPTAPEX1MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 US disclosed
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-07-18 US disclosed
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-07-18 US disclosed
US-11685748-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-06-27 US disclosed
US-11685748-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-06-27 US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 US disclosed
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 US disclosed
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 EP disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF SCHRÖDINGER, INC. 2020-12-17 US disclosed
US-10844079-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2020-11-24 US disclosed
US-20200339552-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-10-29 US disclosed
US-20200317695-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2020-10-08 US disclosed
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS SCHRODINGER, LLC 2020-08-13 US disclosed
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
WO-2018050110-A1 NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR 正大天晴药业集团股份有限公司 2018-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 LMNA 4748/4885GABRA1 3604/4885GABRB1 2772/4885
US-20200339552-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 LMNA 4882/4885GABRA1 2524/4885GABRB1 3026/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 LMNA 4882/4885GABRA1 2524/4885GABRB1 3026/4885
US-20200062760-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC LMNA 4793/4885GABRA1 3410/4885GABRB1 2340/4885
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 LMNA 2700/4885GABRA1 4269/4885GABRB1 4196/4885
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT LMNA 4716/4885GABRA1 616/4885GABRB1 460/4885
US-10844079-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 LMNA 4722/4885GABRA1 2592/4885GABRB1 2637/4885
US-20200317695-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF PTPN1, PTPN11, PTPN5 LMNA 4722/4885GABRA1 2592/4885GABRB1 2637/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF LMNA 4714/4885GABRA1 2333/4885GABRB1 2347/4885
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN7 LMNA 4823/4885GABRA1 3511/4885GABRB1 3525/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 LMNA 4444/4885GABRA1 29/4885GABRB1 17/4885
US-11702411-B2 Pyridine, pyrazine, and triazine compounds as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 LMNA 4882/4885GABRA1 2524/4885GABRB1 3026/4885
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN2, PPM1A LMNA 4835/4885GABRA1 3026/4885GABRB1 1778/4885
US-11685748-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 LMNA 4722/4885GABRA1 2592/4885GABRB1 2637/4885
US-20200392161-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPRCAP, PTPRJ, PTPRC LMNA 4618/4885GABRA1 3465/4885GABRB1 2258/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.