SCHEMBL964577

SCHEMBL964577

CSC(=N)Nc1ccc(-n2ncnc2C)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 11/20 0.37
MALT1 Q9UDY8 2/20 0.36
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BACE1 P56817 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
F10 P00742 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MET P08581 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
Iodide SCHEMBL966207 0.99 CRACR2A (0.37) CRACR2AMALT1MTORKDM4EBACE1
SCHEMBL964684 0.85 MALT1 (0.37) CRACR2AMALT1KDM4EBACE1NPC1
SCHEMBL962682 0.81 MALT1 (0.36) CRACR2AMALT1MTORKDM4EF10
SCHEMBL960278 0.80 CYP1A2 (0.39) CRACR2AMALT1KDM4EBACE1MAPT
SCHEMBL960846 0.76 PSEN1 (0.41) CRACR2AMALT1MTORKDM4ENPC1
SCHEMBL12693213 0.72 NPC1 (0.46) NPC1RAB9AMAPT
SCHEMBL29877763 0.70 ALDH1A1 (0.39) KDM4EBACE1NPC1RAB9AMAPT
SCHEMBL512812 0.70 ALDH1A1 (0.39) KDM4EBACE1NPC1RAB9AMAPT
Iodide SCHEMBL960051 0.70 NOS3 (0.40)
SCHEMBL2554009 0.70 ALOX15 (0.35) CRACR2A

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 CRACR2A 1393/4885MALT1 4292/4885MTOR 2268/4885

“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.