SCHEMBL1428784

SCHEMBL1428784

O=Cc1ccc(-c2nc3ccccn3c2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.60
AKT2 P31751 5/20 0.60
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NTRK1 P04629 1/20 0.48
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ADRA1B P35368 1/20 0.45
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
USP7 Q93009 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1428788 0.91 AKT1 (0.50) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL1429286 0.91 ALDH1A1 (0.67) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL13599904 0.86 AKT1 (0.66) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL19953862 0.86 AKT1 (0.66) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL5347018 0.86 NPC1 (0.66) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL24479406 0.83 AKT1 (0.63) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL25789353 0.83 AKT1 (0.63) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL15382793 0.83 AKT1 (0.63) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL22673418 0.83 AKT1 (0.63) AKT1AKT2ALDH1A1NPC1RAB9A
SCHEMBL24478955 0.82 AKT1 (0.61) AKT1AKT2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292121-B1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY UNIV DORTMUND TECH (DE) 2020-08-05 EP disclosed
US-10550114-B2 Kinase inhibitors and their use in cancer therapy TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2020-02-04 US disclosed
US-20180354941-A1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2018-12-13 US disclosed
EP-3292121-A1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY Technische Universität Dortmund (DE) 2018-03-14 EP disclosed
WO-2016177746-A1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2016-11-10 WO disclosed
EP-3091016-A1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY Technische Universität Dortmund (DE) 2016-11-09 EP disclosed
US-9387204-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-12 US disclosed
US-20140088110-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-27 US disclosed
US-8592591-B2 Fused bicyclic imidazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-26 US disclosed
EP-2176259-B1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AG (DE) 2011-03-30 EP disclosed
EP-2176259-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-21 EP disclosed
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-06-18 US disclosed
WO-2009021990-A1 FUSED IMIDAZOLES FOR CANCER TREATMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 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-20140088110-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 AKT1 3/4885AKT2 2/4885ALDH1A1 3757/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 AKT1 3/4885AKT2 2/4885ALDH1A1 3757/4885
US-10550114-B2 Kinase inhibitors and their use in cancer therapy MAP3K1, MAP3K19, MAP3K6 AKT1 146/4885AKT2 282/4885ALDH1A1 1682/4885
US-20180354941-A1 KINASE INHIBITORS AND THEIR USE IN CANCER THERAPY MAP3K1, MAP3K19, MAP3K6 AKT1 146/4885AKT2 282/4885ALDH1A1 1682/4885

“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.