SCHEMBL4663094

SCHEMBL4663094

O=[N+]([O-])c1ccc(-c2ccccc2)nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PIN1 Q13526 7/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GSR P00390 1/20 0.41
TXNRD1 Q16881 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL30574788 1.00 ALDH1A1 (0.46) ALDH1A1TDP1PIN1MEN1KMT2A
SCHEMBL11234631 0.85 PDE7A (0.50) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL11226790 0.84 NPC1 (0.47) ALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL6614664 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL15724492 0.81 KMT2A (0.51) ALDH1A1TDP1PIN1MEN1KMT2A
SCHEMBL4059206 0.79 MEN1 (0.52) ALDH1A1TDP1MEN1KMT2ACRHBP
SCHEMBL11239468 0.79 ABCG2 (0.41) ALDH1A1TDP1MAPTHPGDABCG2
SCHEMBL7835308 0.76 GALR2 (0.46) ALDH1A1TDP1PIN1MEN1KMT2A
SCHEMBL16520983 0.75 TDP1 (0.39) ALDH1A1TDP1PIN1MAPTRAB9A
SCHEMBL12100934 0.74 GSK3B (0.57) ALDH1A1TDP1PIN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459036-B Process for the preparation of 3- (3- (4- (1-aminocyclobutyl) phenyl) -5-phenyl-3H-imidazo [4,5-b ] pyridin-2-yl) pyridin-2-amine 艾科尔公司 2021-07-16 CN claimed
EP-3122748-B1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE INC (US) 2018-09-26 EP claimed
US-9834556-B2 Process of preparing 3-(3-(4-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-B]pyridin-2-YL)pyridin-2-amine ARQULE, INC. (US) 2017-12-05 US claimed
CN-106459036-A Process of preparing 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3h-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine 艾科尔公司 2017-02-22 CN claimed
EP-3122748-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ArQule, Inc. (US) 2017-02-01 EP claimed
US-20160376270-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE, INC. 2016-12-29 US claimed
US-9464083-B2 Process of preparing 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-B]pyridin-2-yl)pyridin-2-amine ARQULE INC. (US) 2016-10-11 US claimed
WO-2015148464-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE INC. (US) 2015-10-01 WO claimed
US-20150266876-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE ARQULE, INC. 2015-09-24 US claimed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO claimed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
WO-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO 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 (4 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 ALDH1A1 1519/4885TDP1 1044/4885PIN1 786/4885
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 ALDH1A1 4472/4885TDP1 2312/4885PIN1 1408/4885
US-20150266876-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE PIR, PAH, PNMT ALDH1A1 1632/4885TDP1 1826/4885PIN1 533/4885
US-20160376270-A1 PROCESS OF PREPARING 3-(3-(4-(1-AMINOCYCLOBUTYL)PHENYL)-5-PHENYL-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)PYRIDIN-2-AMINE PIR, PAH, PNMT ALDH1A1 1632/4885TDP1 1826/4885PIN1 533/4885

“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.