SCHEMBL964930

SCHEMBL964930

CSC(=N)Nc1ccc(-n2cnc(C)n2)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALOX5AP P20292 1/20 0.34
ROCK1 Q13464 1/20 0.33
MALT1 Q9UDY8 2/20 0.33
NPY2R P49146 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
PDE7A Q13946 1/20 0.33
DRD4 P21917 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 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
Iodide SCHEMBL964383 0.99 KCNH2 (0.37) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL2509445 0.86 ALOX5AP (0.35) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL960846 0.82 PSEN1 (0.41) MEN1KMT2AMAPTSMN1; SMN2MALT1
SCHEMBL964010 0.81 KDM4E (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL960486 0.81 PSEN1 (0.44) KCNH2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL18773501 0.75 ALOX5AP (0.39) ALDH1A1SMN1; SMN2NPSR1RXFP1ALOX5AP
SCHEMBL12918141 0.73 NOS3 (0.36) ALOX5AP
SCHEMBL964746 0.72 KDM4E (0.49) ALDH1A1MEN1KMT2AMAPTHPGD
Iodide SCHEMBL2511944 0.72 NOS3 (0.37) ALOX5AP
SCHEMBL960833 0.71

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 3 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
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US 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 KCNH2 4481/4885ALDH1A1 1819/4885MEN1 3498/4885

“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.