SCHEMBL2088060

SCHEMBL2088060

COc1cc(N)nc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.54
NOS1 P29475 1/20 0.54
NOS2 P35228 1/20 0.54
ALDH1A1 P00352 6/20 0.53
DYRK1A Q13627 2/20 0.48
NCF1 P14598 1/20 0.47
CYP3A4 P08684 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2901671 0.85 NOS3 (0.47) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL29870734 0.85 NOS3 (0.47) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL30850946 0.85 NOS3 (0.54) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL14842377 0.85 NOS3 (0.54) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL2088106 0.84 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL30254429 0.84 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL29844831 0.84 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A
Hydrochloric Acid SCHEMBL15545578 0.84 NOS1 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL22120832 0.84 NOS3 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A
SCHEMBL17923133 0.84 NOS1 (0.45) NOS3NOS1NOS2ALDH1A1DYRK1A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119890430-A Preparation method and application of self-repairing polymer solid electrolyte material based on ten-double hydrogen bonds 华中科技大学 2025-04-25 CN claimed
CN-119890430-A Preparation method and application of self-repairing polymer solid electrolyte material based on ten-double hydrogen bonds 华中科技大学 2025-04-25 CN disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US disclosed
WO-1998047899-A1 SUBSTITUTED PYRROLOPYRIDINES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL CORPORATION, INC. (US) 1998-10-29 WO disclosed
US-4038398-A PROPHYLACTIC TREATMENT FOR ALLERGY AND ANAPHYLACTIC REACTIONS ION THE UPJOHN COMPANY (US) 1977-07-26 US disclosed
US-3963660-A ANTI-ALLERGY THE UPJOHN COMPANY (US) 1976-06-15 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 (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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 NOS3 725/4885NOS1 1834/4885NOS2 1125/4885
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 NOS3 3443/4885NOS1 2348/4885NOS2 3653/4885

“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.