SCHEMBL3323208

SCHEMBL3323208

Cc1cccc2c1n[c]n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP1 P09874 1/20 0.33
AURKA O14965 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CYP2A6 P11509 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GALR3 O60755 1/20 0.31
NR2F2 P24468 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL5006517 0.80 GRM2 (0.36) CYP1A2CYP2D6PARP1AURKACYP2A6
SCHEMBL5840948 0.78 GRM2 (0.44)
SCHEMBL2157946 0.78 GRM2 (0.35) ALDH1A1PARP1NPC1RAB9ACYP11B2
SCHEMBL18894161 0.78 ALDH1A1 (0.34) TLR8ALKBH5FTOALDH1A1CYP1A2
SCHEMBL18894190 0.78 ALDH1A1 (0.34) TLR8ALKBH5FTOALDH1A1CYP1A2
SCHEMBL18894152 0.78 DAO (0.36) TLR8ALKBH5FTOALDH1A1CYP1A2
SCHEMBL1826324 0.78 AURKA (0.35) TLR8ALKBH5FTOALDH1A1CYP1A2
SCHEMBL9569254 0.76 JAK2 (0.32) TLR8CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18894151 0.76 ALDH1A1 (0.33) TLR8ALKBH5FTOALDH1A1CYP1A2
SCHEMBL558759 0.76 TLR8 (0.41) TLR8ALDH1A1CYP3A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144675-A1 Regulation of sGC Function by Corrin Derivatives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US claimed
US-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US claimed
WO-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed
US-20100144675-A1 Regulation of sGC Function by Corrin Derivatives BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
WO-2008154323-A1 REGULATION OF sGC FUNCTION BY CORRIN DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-18 WO disclosed
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
US-5565469-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1996-10-15 US disclosed
CN-1113235-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them THOMAE GMBH DR K (DE) 1995-12-13 CN disclosed
EP-0682021-A1 Benzimidazoles, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1995-11-15 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP 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 (2 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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 TLR8 4139/4885ALKBH5 184/4885FTO 533/4885
US-20100144675-A1 Regulation of sGC Function by Corrin Derivatives GUCY1B1, GUCY1A2, GUCY1A1 TLR8 3992/4885ALKBH5 2575/4885FTO 460/4885

“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.