SCHEMBL361827

SCHEMBL361827

O=C(O)NC1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SSTR4 P31391 1/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC3 O15379 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
TACR3 P29371 1/20 0.37
PDE2A O00408 4/20 0.37
LIG1 P18858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL2720873 0.93 MAPK1 (0.38) MAPK1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2712662 0.83 SSTR4 (0.53) ALDH1A1POLBSSTR4HDAC1HDAC3
SCHEMBL16161986 0.82 HDAC4 (0.47) ALDH1A1SSTR4HDAC1HDAC3HDAC2
SCHEMBL2173859 0.82 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1SSTR4HDAC1
SCHEMBL22090069 0.81 MAPK1 (0.36) MAPK1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2718047 0.81 WDR91 (0.44) MAPK1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL27223524 0.80 ALDH1A1 (0.45) MAPK1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3560390 0.79 SSTR4 (0.56) ALDH1A1LMNAPOLBSMN1; SMN2SSTR4
SCHEMBL23497190 0.79 HDAC1 (0.42) MAPK1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1560775 0.79 DGAT2 (0.38) MAPK1ALDH1A1LMNAPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
CN-108699048-A Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2018-10-23 CN disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
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 disclosed
US-20130116243-A1 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2013-05-09 US disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 EP disclosed
WO-2012136776-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-11 WO disclosed
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
EP-2104669-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2009-09-30 EP disclosed
WO-2008070016-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 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 (6 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-20130116243-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 MAPK1 265/4885ALDH1A1 4294/4885LMNA 3443/4885
US-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 MAPK1 2849/4885ALDH1A1 344/4885LMNA 2639/4885
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 MAPK1 1911/4885ALDH1A1 554/4885LMNA 3026/4885
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 MAPK1 1648/4885ALDH1A1 1632/4885LMNA 402/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 MAPK1 2727/4885ALDH1A1 302/4885LMNA 2641/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 MAPK1 2727/4885ALDH1A1 302/4885LMNA 2641/4885

“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.