SCHEMBL963299

SCHEMBL963299

Cc1nc(C)n(-c2ccc(NC(N)=S)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.39
MAPK10 P53779 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
CRACR2A Q9BSW2 4/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL962682 0.80 MALT1 (0.36) KDM4EMAPK10MALT1CRACR2A
SCHEMBL960278 0.80 CYP1A2 (0.39) KDM4ECYP1A2MALT1KMT2ACRACR2A
SCHEMBL966637 0.77 KDM4E (0.41) KDM4ECYP1A2MALT1KMT2AALDH1A1
SCHEMBL960631 0.75 ALDH1A1 (0.39) KDM4EMAPK10KMT2AMEN1ALDH1A1
SCHEMBL1617435 0.72 PSEN1 (0.45) KDM4ECYP1A2
SCHEMBL1933289 0.69 KMT2A (0.50) CYP1A2KMT2AMEN1ALDH1A1GAA
SCHEMBL12157836 0.68 CYP1A2 (0.53) KDM4ECYP1A2KMT2AMEN1ALDH1A1
SCHEMBL31150253 0.64 KMT2A (0.51) KDM4ECYP1A2KMT2AMEN1ALDH1A1
SCHEMBL962539 0.64 CYP1A2 (0.36) KDM4ECYP1A2KMT2AALDH1A1GAA
SCHEMBL3425880 0.62 ALDH1A1 (0.46) KDM4EKMT2AMEN1ALDH1A1MAPT

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 4459/4885CYP1A2 891/4885MAPK10 2811/4885

“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.