SCHEMBL2174430

SCHEMBL2174430

Nc1ccc(-c2ccccc2)c(N)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
ASIC3 Q9UHC3 1/20 0.48
ADORA1 P30542 5/20 0.46
MEN1 O00255 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
HBB P68871 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
BACE1 P56817 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL23646288 0.90 HSD17B10 (0.45) FGFR1SRCASIC3ADORA1MEN1
SCHEMBL1901873 0.83 KDM4E (0.45) FGFR1SRCADORA1MEN1KMT2A
SCHEMBL29972990 0.83 KDM4E (0.45) FGFR1SRCADORA1MEN1KMT2A
SCHEMBL21223615 0.80 ADORA2B (0.47) ADORA1MEN1MAPK1KMT2ALMNA
SCHEMBL27550199 0.80 PDE10A (0.54) ASIC3ADORA1KMT2ABACE1LMNA
SCHEMBL21223550 0.78 BACE1 (0.44) FGFR1SRCADORA1MEN1CYP3A4
SCHEMBL21223602 0.78 MAP4K4 (0.50) ADORA1BACE1CYP1A2KCNH2ALDH1A1
SCHEMBL11008096 0.78 NOS3 (0.50) ASIC3MEN1MAPK1KMT2ABACE1
SCHEMBL28335499 0.78 MEN1 (0.51) ADORA1MEN1MAPK1KMT2ABACE1
SCHEMBL3180674 0.78 FGFR1 (0.46) FGFR1SRCADORA1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US claimed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP claimed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN claimed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO claimed
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 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
CN-111494378-A Compositions and methods for treating proliferative disorders 艾科尔公司 2020-08-07 CN disclosed
CN-107074769-B Compositions and methods for treating proliferative disorders 艾科尔公司 2020-04-07 CN disclosed
CN-107074769-A Compositions and methods for treating proliferative disorders 艾科尔公司 2017-08-18 CN disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
WO-2016161572-A1 TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
CN-103748093-A Substituted imidazopyridinyl-aminopyridine compounds ARQULE INC 2014-04-23 CN disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 WO disclosed
US-4229456-A SUPPRESSION OF GASTRIC SECRETIONS MERCK & CO., INC. (US) 1980-10-21 US disclosed
US-4133885-A GASTRIC SECRETIONS INHIBITORS MERCK & CO., INC. (US) 1979-01-09 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 FGFR1 3626/4885SRC 638/4885ASIC3 142/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 FGFR1 4648/4885SRC 1984/4885ASIC3 4487/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 FGFR1 880/4885SRC 302/4885ASIC3 1863/4885

“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.