SCHEMBL1428252

SCHEMBL1428252

OCc1ccc(-c2c(-c3ccccc3)nc3scnn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.40
AKT1 P31749 3/20 0.39
AKT2 P31751 3/20 0.39
BRAF P15056 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTGS2 P35354 7/20 0.38
PTGS1 P23219 2/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GPR84 Q9NQS5 2/20 0.34

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
SCHEMBL1428251 1.00 FYN (0.40) FYNAKT1AKT2BRAFMEN1
SCHEMBL1429276 0.78 RAF1 (0.45) AKT1AKT2HPGDMAPK1SMN1; SMN2
SCHEMBL1428565 0.76 PTGS2 (0.65) AKT1AKT2BRAFPTGS2PTGS1
SCHEMBL15730061 0.71 ALDH1A1 (0.39) AKT1AKT2MEN1HPGDKMT2A
SCHEMBL18136568 0.71 MAPT (0.50) MEN1USP2HPGDMAPK1KMT2A
SCHEMBL16981100 0.70 KMT2A (0.63) AKT1AKT2BRAFMEN1HPGD
Hydrochloric Acid SCHEMBL18128839 0.70 ALDH1A1 (0.38) AKT1AKT2MEN1HPGDKMT2A
SCHEMBL18203558 0.69 AKT1 (0.56) AKT1AKT2HPGDSMN1; SMN2
SCHEMBL3245505 0.66 PTGS2 (0.64) PTGS2PTGS1
Biphenyl SCHEMBL27280595 0.65 TSHR (0.68) FYNBRAFMEN1KMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2062893-A1 Fused imidazoles for cancer treatment Bayer Schering Pharma AG (DE) 2009-05-27 EP 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 (2 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 FYN 130/4885AKT1 3/4885AKT2 2/4885
US-20090156604-A1 FUSED BICYCLIC IMIDAZOLES MTOR, AKT2, AKT1 FYN 130/4885AKT1 3/4885AKT2 2/4885

“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.