SCHEMBL2699451

SCHEMBL2699451

COc1ccc(-c2ccc(Br)cn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
RAB9A P51151 8/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 7/20 0.53
CASP3 P42574 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
NPM1 P06748 1/20 0.47
ALK Q9UM73 1/20 0.47
CYP11B1 P15538 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
TP53 P04637 1/20 0.46
MCL1 Q07820 1/20 0.46
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL27894358 0.89 RXFP1 (0.53) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL19933574 0.84 NPC1 (0.52) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3716990 0.82 RXFP1 (0.62) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1416706 0.82 NPC1 (0.55) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL13996093 0.80 NPC1 (0.63) RXFP1RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL2406613 0.80 KDM1A (0.57) RAB9AMAPTNPC1TP53FYN
SCHEMBL5992639 0.79 RXFP1 (0.58) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL765406 0.79 RXFP1 (0.58) RXFP1RAB9ANPC1CASP3SENP7
SCHEMBL1772787 0.79 SMN1; SMN2 (0.49) RXFP1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7284676 0.78 RAB9A (0.53) RXFP1RAB9ASMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103351333-B A kind of Aryl pyridine derivative compound and preparation method thereof LINHAI LIANSHENG CHEMICAL CO., LTD. (CN) 2015-08-26 CN disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-8569331-B2 Substituted benzo[f]lmidazo[1,2-d]pyrido[2,3-b][1,4]diazepine compounds ARQULE, INC. (US) 2013-10-29 US disclosed
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 WO disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 WO disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 US disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 US disclosed
US-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds ARQULE, INC. (US) 2012-05-03 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
US-5380460-A Ferroelectric liquid crystal compounds containing chiral haloalkoxy tail units and compositions containing them DISPLAYTECH, INC. (US) 1995-01-10 US disclosed
WO-1993006192-A1 FERROELECTRIC LIQUID CRYSTAL COMPOUNDS CONTAINING CHIRAL HALOALKOXY TAIL UNITS AND COMPOSITIONS CONTAINING THEM DISPLAYTECH, INCORPORATED (US) 1993-04-01 WO disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 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-20120108574-A1 Substituted Benzo-Imidazo-Pyrido-Diazepine Compounds BRD4, BRPF3, BRD3 RXFP1 3129/4885RAB9A 2831/4885SMN1; SMN2 1282/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS RXFP1 4635/4885RAB9A 734/4885SMN1; SMN2 4870/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 RXFP1 779/4885RAB9A 2311/4885SMN1; SMN2 1817/4885

“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.