SCHEMBL964010

SCHEMBL964010

Cc1ncn(-c2ccc(NC(N)=S)cc2C#N)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALOX5AP P20292 1/20 0.37
CYP1A2 P05177 1/20 0.37
IDO1 P14902 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GRM4 Q14833 1/20 0.33
ROCK1 Q13464 1/20 0.33
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL2509445 0.83 ALOX5AP (0.35) ALOX5APMALT1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL966637 0.81 KDM4E (0.41) KDM4ECYP1A2MALT1ALDH1A1KMT2A
SCHEMBL964930 0.81 KCNH2 (0.38) KDM4EALOX5APMALT1ALDH1A1KMT2A
Iodide SCHEMBL964383 0.81 KCNH2 (0.37) KDM4EALOX5APMALT1ALDH1A1KMT2A
SCHEMBL960711 0.80 PSEN1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1039865 0.79 PSEN1 (0.47) KDM4ECYP1A2IDO1
SCHEMBL964746 0.77 KDM4E (0.49) KDM4EALOX5APCYP1A2ALDH1A1KMT2A
SCHEMBL18773501 0.76 ALOX5AP (0.39) KDM4EALOX5APALDH1A1SMN1; SMN2NPSR1
SCHEMBL12918141 0.72 NOS3 (0.36) ALOX5AP
SCHEMBL21030746 0.72 ALOX5AP (0.36) KDM4EALOX5APALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (1 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 KDM4E 4459/4885ALOX5AP 809/4885CYP1A2 891/4885

“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.