SCHEMBL312400

SCHEMBL312400

COc1c(C)[c]ncc1C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.35
ACHE P22303 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
SCHEMBL313556 0.83
SCHEMBL3394614 0.80
SCHEMBL3390537 0.77
SCHEMBL3391484 0.77 KDM4E (0.31)
SCHEMBL3393971 0.74
SCHEMBL3430039 0.74 RECQL (0.35) AGXT
SCHEMBL3396150 0.72 LMNA (0.35)
SCHEMBL3393880 0.71 CA12 (0.33)
SCHEMBL311410 0.70
SCHEMBL3391849 0.70 CNR2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US claimed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO claimed
US-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US claimed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US claimed
EP-2109612-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS AstraZeneca AB (SE) 2009-10-21 EP claimed
WO-2009106745-A2 METHOD FOR ENANTIO-SELECTIVE PREPARATION OF SULPHOXIDES SIDEM PHARMA SA (LU) 2009-09-03 WO claimed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US claimed
US-7528251-B2 Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA SA (LU) 2009-05-05 US claimed
EP-1802620-B1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S A (LU) 2008-12-17 EP claimed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US claimed
US-20060281782-A1 Method for the enantioselective preparation of sulphoxide derivatives SIDEM PHARMA (LU) 2006-12-14 US claimed
WO-2006037894-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S.A. (LU) 2006-04-13 WO claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P AGXT 4152/4885ACHE 4476/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 AGXT 2737/4885ACHE 4879/4885
US-20060281782-A1 Method for the enantioselective preparation of sulphoxide derivatives TST, CYP2B6, SQOR AGXT 3327/4885ACHE 1966/4885

“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.