SCHEMBL5091129

SCHEMBL5091129

CCc1nc2nc(C)cc(C)c2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 1.00
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
ADORA3 P0DMS8 5/20 0.46
ADORA2A P29274 4/20 0.46
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
DDAH1 O94760 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 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
SCHEMBL5098257 0.86 ADORA1 (0.75) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL8638332 0.83 ADORA1 (0.71) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL3217333 0.82 ADORA1 (0.70) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL3210466 0.82 ADORA1 (0.70) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL8640873 0.81 ADORA1 (0.68) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL8327620 0.81 ADORA1 (0.68) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL7016763 0.78 ADORA1 (0.64) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL7387472 0.77 ADORA1 (0.62) ADORA1NOS1NOS2ADORA3ADORA2A
SCHEMBL21263297 0.76 ADORA1 (0.61) ADORA1NOS1NOS2ADORA3ADORA2A
Hydrochloric Acid SCHEMBL9597611 0.76 ADORA1 (0.60) ADORA1NOS1NOS2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US claimed
JP-9059277-A None JP disclosed
US-8507484-B2 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-08-13 US disclosed
US-7417052-B2 Phenylene derivative having tetrazole ring or thiazolidinedione ring SANKYO COMPANY, LIMITED (JP) 2008-08-26 US disclosed
US-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2008-01-03 US disclosed
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases KYOWA KIRIN CO., LTD. (JP) 2007-09-13 US disclosed
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring RENASCIENCE CO., LTD (JP) 2007-05-10 US disclosed
EP-1781653-A1 3,4-DISUBSTITUTED PYRAZOLES AS CYCLIN DEPENDENT KINASES (CDK) OR AURORA KINASE OR GLYCOGEN SYNTHASE 3 (GSK-3) INHIBITORS Astex Therapeutics Limited (GB) 2007-05-09 EP disclosed
EP-1724271-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR NEUTROPHILIC INFLAMMATION DISEASE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-22 EP disclosed
EP-1679310-A1 PHENYLENE DERIVATIVE HAVING TETRAZOLE RING OR THIAZOLIDINEDIONE RING Sankyo Company, Limited (JP) 2006-07-12 EP disclosed
US-5132216-A Tetrazolylbiphenylmethyl-3H-imidazo 4,5-b!-pyridine derivatives produced by Streptomyces fermentation MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-5128327-A Hypotensive agents; congestive heart failure; antidepressants; anxiolytic agents; cognition activators MERCK & CO., INC. (US) 1992-07-07 US disclosed
US-5102880-A Biphenyl imidazotriazine derivatives; Hypotensive and cardiotonic agents MERCK & CO., INC. (US) 1992-04-07 US disclosed
US-5085992-A Culturing striptomyces under aerobic conditions, angitensin II antagonist MERCK & CO., INC. (US) 1992-02-04 US disclosed
EP-0467715-A1 Microbial transformation process for antihypertensive products MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0456510-A1 Antihypertensive products, a process for their preparation and pharamaceutical compositions containing them MERCK & CO. INC. (US) 1991-11-13 EP disclosed
US-5057522-A Hypotensive agents MERCK & CO., INC. (US) 1991-10-15 US disclosed
US-5049565-A Biosynthesis of angiotensin antagonist MERCK & CO., INC. (US) 1991-09-17 US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 WO disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 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 (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-20080004270-A1 3,4-Disubstituted Pyrazoles as Cyclin Dependent Kinases (Cdk) or Aurora Kinase or Glycogen Synthase 3 (Gsk-3) Inhibitors CDK3, CDK1, GSK3B ADORA1 3044/4885NOS1 2920/4885NOS2 3727/4885
US-20070105846-A1 Phenylene derivative having tetrazole ring or thiazolidinedione ring JAK2, ABL1, CYP3A5 ADORA1 2042/4885NOS1 2684/4885NOS2 2466/4885
US-20070213361-A1 Preventive and/or therapeutic agent for neutrophilic inflammatory diseases MPO, MSR1, NR4A3 ADORA1 146/4885NOS1 89/4885NOS2 86/4885

“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.