SCHEMBL3305046

SCHEMBL3305046

Clc1c(Br)ccc2nccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.41
ADRA2C P18825 9/20 0.41
ADRA2B P18089 8/20 0.41
ADRA1A P35348 7/20 0.41
ADRA1D P25100 7/20 0.41
ADRA1B P35368 5/20 0.41
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL30320937 1.00 ADRA2A (0.41) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL28520045 0.77 ADRA2A (0.52) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL28250223 0.77 ADRA2A (0.44) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL31330119 0.74 ADRA2A (0.49) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL26920348 0.74 ADRA2A (0.45) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL25001636 0.74 ADRA2A (0.44) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL25702666 0.74 ADRA2A (0.41) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL25222485 0.74 ADRA2A (0.41) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL30486566 0.74 ADRA2A (0.41) ADRA2AADRA2CADRA2BADRA1AADRA1D
SCHEMBL21631800 0.74 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282782-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORP (US) 2025-09-11 US disclosed
CN-119212994-A Pyrazolopyrazine compounds as SHP2 inhibitors 建新公司 2024-12-27 CN disclosed
CN-112513050-B Heterocyclic compounds which inhibit SHP2 activity 大鹏药品工业株式会社 2024-12-20 CN disclosed
EP-4448526-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2024-10-23 EP disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
CN-111212834-B Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN disclosed
EP-3694848-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2020-08-19 EP disclosed
CN-111212834-A Pyridine, pyrazine and triazine compounds as allosteric SHP2 inhibitors 锐新医药公司 2020-05-29 CN disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 WO disclosed
WO-2020022323-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-01-30 WO disclosed
WO-2019075265-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-04-18 WO disclosed
CN-102197031-A Substituted 5-aminopyrazoles and use thereof BAYER SCHERING PHARMA AG 2011-09-21 CN disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (5 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-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 ADRA2A 4763/4885ADRA2C 4702/4885ADRA2B 4606/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 ADRA2A 4076/4885ADRA2C 3813/4885ADRA2B 4073/4885
US-20250282782-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS PTPN5, PTPN2, PTPRJ ADRA2A 4564/4885ADRA2C 4434/4885ADRA2B 4510/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADRA2A 1144/4885ADRA2C 403/4885ADRA2B 579/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 ADRA2A 3446/4885ADRA2C 3136/4885ADRA2B 2530/4885

“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.