SCHEMBL3338947

SCHEMBL3338947

Nc1cc(CC2CC2)n[nH]1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.32
▸ GRIN2B Q13224 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
SCHEMBL23910454 0.88 MAPK1 (0.35) DAO
SCHEMBL24006871 0.77 CYP2D6 (0.35) DAO
SCHEMBL25373494 0.76 HCAR3 (0.33) DAO
SCHEMBL17239455 0.72 — —
SCHEMBL14718543 0.71 DAO (0.39) DAO
SCHEMBL24711576 0.69 NOS1 (0.30) —
SCHEMBL17950341 0.68 — —
SCHEMBL14723143 0.68 DAO (0.39) DAO
SCHEMBL14688686 0.67 LMNA (0.41) —
Hydrochloric Acid SCHEMBL17942045 0.67 TDP1 (0.34) —

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-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-09-07 — — US disclosed
US-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-09-07 — — US disclosed
WO-2023122783-A2 TETRAHYDROPYRAZOLOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 — — WO disclosed
US-20230146395-A1 Substituted Pyrimidines and Uses Thereof Verge Analytics, Inc. (US) 2023-05-11 — — US disclosed
US-20230146395-A1 Substituted Pyrimidines and Uses Thereof Verge Analytics, Inc. (US) 2023-05-11 — — US disclosed
US-20230146395-A1 Substituted Pyrimidines and Uses Thereof Verge Analytics, Inc. (US) 2023-05-11 — — US disclosed
EP-4118087-A1 SUBSTITUTED FURO[3,2-D]PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2023-01-18 — — EP disclosed
WO-2022261068-A1 METHODS AND TREATMENT OF VIRAL INFECTION WITH SUBSTITUTED FURO-PYRIMIDINES Verge Analytics, Inc. (US) 2022-12-15 — — WO disclosed
WO-2022261068-A1 METHODS AND TREATMENT OF VIRAL INFECTION WITH SUBSTITUTED FURO-PYRIMIDINES Verge Analytics, Inc. (US) 2022-12-15 — — WO disclosed
WO-2021183439-A1 SUBSTITUTED FURO[3,2-D]PYRIMIDINES AND USES THEREOF Verge Analytics, Inc. (US) 2021-09-16 — — WO disclosed
US-8445676-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 — — US disclosed
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 — — US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 — — EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 — — US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 — — US disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 — — CN disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 — — EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 — — 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 (6 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 DAO 2955/4885GRIN2B 955/4885
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, CSNK2A1, CSNK2A2 DAO 3577/4885GRIN2B 2772/4885
US-20230146395-A1 Substituted Pyrimidines and Uses Thereof PIKFYVE, PIK3CA, PIK3CB DAO 2207/4885GRIN2B 1062/4885
US-20230279016-A1 Tetrahydropyrazolopyrimidines and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD2, TEAD1 DAO 3590/4885GRIN2B 4540/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK DAO 2727/4885GRIN2B 1259/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 DAO 4246/4885GRIN2B 1342/4885

“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.

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