SCHEMBL964684

SCHEMBL964684

Cc1ncnn1-c1ccc(NC(=N)S)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.37
CRACR2A Q9BSW2 8/20 0.36
BACE1 P56817 1/20 0.35
KRAS P01116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F10 P00742 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATR Q13535 1/20 0.32
MET P08581 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
SCHEMBL964577 0.85 CRACR2A (0.37) MALT1CRACR2ABACE1KDM4EF10
Iodide SCHEMBL966207 0.84 CRACR2A (0.37) MALT1CRACR2ABACE1KDM4EF10
SCHEMBL960278 0.82 CYP1A2 (0.39) MALT1CRACR2ABACE1KRASKDM4E
SCHEMBL12693213 0.74 NPC1 (0.46) ALOX15MAPK1NPC1RAB9A
SCHEMBL512812 0.72 ALDH1A1 (0.39) BACE1KDM4EALOX15MAPK1NPC1
SCHEMBL29877763 0.72 ALDH1A1 (0.39) BACE1KDM4EALOX15MAPK1NPC1
SCHEMBL2554009 0.72 ALOX15 (0.35) CRACR2AALOX15TSHRMAPK1
SCHEMBL3406169 0.65 DHFR (0.39) KDM4EALOX15TSHRMAPK1NPC1
SCHEMBL962682 0.65 MALT1 (0.36) MALT1CRACR2AKDM4EF10
Iodide SCHEMBL960051 0.64 NOS3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MALT1 4292/4885CRACR2A 1393/4885BACE1 2/4885

“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.