SCHEMBL569550

SCHEMBL569550

[c]1[nH]ccc1-c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ADRA2A P08913 3/20 0.35
CSNK1A1 P48729 1/20 0.35
TYRO3 Q06418 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL81650 0.71 NISCH (0.59) NISCHMTORADKALDH1A1MEN1
SCHEMBL297602 0.69 NISCH (0.48) NISCHMTORADKALDH1A1MEN1
Hydrochloric Acid SCHEMBL1536214 0.69 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL28425230 0.69 NISCH (0.56) NISCHMTORADKALDH1A1MEN1
SCHEMBL2706724 0.68 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL2084172 0.68 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL7392336 0.68 NISCH (0.42) NISCHMTORADKALDH1A1MEN1
SCHEMBL3612034 0.68 ALDH1A1 (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL295727 0.68 NISCH (0.52) NISCHMTORADKALDH1A1MEN1
SCHEMBL722191 0.67 NISCH (0.78) NISCHMTORADKALDH1A1MEN1

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
EP-0966446-B1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER LAMBERT CO (US) 2005-10-19 EP claimed
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US claimed
EP-0530537-B1 Condensed pyrimidine derivatives, their production and use as antitumor agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-08 EP claimed
EP-0602522-B1 Substituted Benzoylguanidines, method for their preparation, their use as antiarrhythmic agents HOECHST AG (DE) 1996-05-29 EP claimed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP claimed
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
EP-2814825-B1 DIHYDROFURAN AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2016-03-23 EP disclosed
US-9133172-B2 Dihydrofuran azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-09-15 US disclosed
US-9073912-B2 Azetidine derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-07-07 US disclosed
US-9061013-B2 Isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2015-06-23 US disclosed
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-04-30 US disclosed
EP-2855457-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis Products LLC (US) 2015-04-08 EP disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 WO disclosed
EP-0966446-B1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER LAMBERT CO (US) 2005-10-19 EP disclosed
US-6787556-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR) AGONISTS; type 2 gamma receptors; INSULIN RESISTANCE; carboxybenzyl group on a phenyl-substituted tetrazole, pyrazole, or imidazole ring ASTRAZENECA AB (SE) 2004-09-07 US disclosed
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands NEUROGEN CORPORATION 2002-04-11 US disclosed
US-5674864-A ANALGESICS; ENDOPEPTIDASE AND ENKEPHALINASE INHIBITORS; CARDIOTONIC, PSYCHOTROPIC AND HYPERTENSIVE AGENTS ROUSSEL UCLAF (FR) 1997-10-07 US disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US 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 (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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX NISCH 166/4885MTOR 2769/4885ADK 1289/4885
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands CRH, CRHR1, CRHR2 NISCH 3247/4885MTOR 849/4885ADK 1162/4885
US-20150119377-A1 AZETIDINE DERIVATIVES AS ANTIPARASITIC AGENTS CYP1B1, ADORA1, QDPR NISCH 58/4885MTOR 2290/4885ADK 2143/4885

“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.