SCHEMBL962539

SCHEMBL962539

Cc1ncn(-c2c(F)cc(NC(N)=S)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 1/20 0.31
TYR P14679 1/20 0.31
TSHR P16473 1/20 0.31
TAS2R38 P59533 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATR Q13535 1/20 0.30

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
SCHEMBL966728 0.89 JUN (0.35) MAPTALDH1A1GAA
SCHEMBL966637 0.83 KDM4E (0.41) CYP1A2KDM4EMAPTALDH1A1KMT2A
SCHEMBL960833 0.78
SCHEMBL961665 0.76 ALOX5AP (0.30)
SCHEMBL16202011 0.75 GAA (0.31) KMT2AGAA
SCHEMBL961727 0.71 PSEN1 (0.37) ATR
SCHEMBL960711 0.70 PSEN1 (0.44) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL961808 0.70 PSEN1 (0.34)
SCHEMBL960085 0.69 KDM4E (0.33) KDM4ENPSR1ALDH1A1TP53TYR
SCHEMBL964010 0.69 KDM4E (0.39) CYP1A2KDM4ENPSR1MAPTALDH1A1

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 CYP1A2 891/4885KDM4E 4459/4885NPSR1 2314/4885

“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.