SCHEMBL2284072

SCHEMBL2284072

c1cc(C2CCNC2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.43
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MPO P05164 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
SCHEMBL18170495 1.00 HTR3A (0.43) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
SCHEMBL18170528 1.00 HTR3A (0.43) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL18865712 0.98 HTR3A (0.42) HTR3ASLC18A3SIGMAR1HTR2AHTR2C
SCHEMBL21193137 0.89 CHEK1 (0.43) HTR2A
SCHEMBL1586961 0.88 SLC18A3 (0.42) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL18866040 0.87 CHEK1 (0.43) HTR2A
Hydrochloric Acid SCHEMBL28541350 0.86 SLC18A3 (0.41) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
Hydrochloric Acid SCHEMBL3861509 0.86 SLC18A3 (0.41) SLC18A3SIGMAR1HTR2CMKNK1MKNK2
SCHEMBL16906233 0.84
Hydrochloric Acid SCHEMBL18556076 0.82 CHRNB4 (0.35) HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108295073-A Multi-fluorinated compounds are as bruton's tyrosine kinase inhibitor 浙江导明医药科技有限公司 2018-07-20 CN claimed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2021-11-02 US disclosed
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
EP-3696181-A1 PURINONES AS UBIQUITIN-SPECIFIC PROTEASE 1 INHIBITORS Forma Therapeutics, Inc. (US) 2020-08-19 EP disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-10-17 US disclosed
US-10189841-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
CN-108884068-A 1- cyano-pyrolidin derivative as DUB inhibitor 特殊治疗有限公司 2018-11-23 CN disclosed
WO-2018011681-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-01-18 WO disclosed
US-8470819-B2 Benzimidazole and aza-benzimidazole carboxamides MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358202-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
WO-2010051245-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-05-06 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 (7 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-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 HTR3A 1521/4885SLC18A3 3833/4885SIGMAR1 1950/4885
US-10189841-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 HTR3A 1521/4885SLC18A3 3833/4885SIGMAR1 1950/4885
US-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 HTR3A 1424/4885SLC18A3 4597/4885SIGMAR1 428/4885
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD HTR3A 2158/4885SLC18A3 650/4885SIGMAR1 1447/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD HTR3A 2052/4885SLC18A3 608/4885SIGMAR1 1503/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 HTR3A 1521/4885SLC18A3 3833/4885SIGMAR1 1950/4885
US-20110207750-A1 BENZIMIDAZOLE AND AZA-BENZIMIDAZOLE CARBOXAMIDES PAFAH1B3, PAFAH1B2, PAF1 HTR3A 2643/4885SLC18A3 4617/4885SIGMAR1 534/4885

“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.