SCHEMBL960846

SCHEMBL960846

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.41
PSEN2 P49810 10/20 0.41
APH1B Q8WW43 10/20 0.41
NCSTN Q92542 10/20 0.41
APH1A Q96BI3 10/20 0.41
PSENEN Q9NZ42 10/20 0.41
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MALT1 Q9UDY8 2/20 0.35
MAPT P10636 2/20 0.35
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CRACR2A Q9BSW2 1/20 0.33

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
SCHEMBL960833 0.84
SCHEMBL960486 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964930 0.82 KCNH2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
Iodide SCHEMBL964383 0.81 KCNH2 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL966637 0.80 KDM4E (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962682 0.78 MALT1 (0.36) MALT1MTORKDM4ECRACR2A
SCHEMBL961808 0.77 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960001 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964577 0.76 CRACR2A (0.37) NPC1RAB9AMALT1MAPTMTOR
Iodide SCHEMBL966207 0.75 CRACR2A (0.37) NPC1RAB9AMALT1MAPTMTOR

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 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885

“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.