SCHEMBL960278

SCHEMBL960278

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BACE1 P56817 1/20 0.38
CRACR2A Q9BSW2 3/20 0.36
MALT1 Q9UDY8 2/20 0.36
KRAS P01116 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ATR Q13535 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
SCHEMBL964684 0.82 MALT1 (0.37) KDM4EBACE1CRACR2AMALT1KRAS
SCHEMBL964577 0.80 CRACR2A (0.37) KDM4EBACE1CRACR2AMALT1SMN1; SMN2
SCHEMBL963299 0.80 KDM4E (0.44) CYP1A2KDM4ECRACR2AMALT1KMT2A
Iodide SCHEMBL966207 0.79 CRACR2A (0.37) KDM4EBACE1CRACR2AMALT1SMN1; SMN2
SCHEMBL512812 0.75 ALDH1A1 (0.39) CYP1A2KDM4EBACE1KMT2ASMN1; SMN2
SCHEMBL966637 0.74 KDM4E (0.41) CYP1A2KDM4EMALT1KMT2ASMN1; SMN2
SCHEMBL1617435 0.74 PSEN1 (0.45) CYP1A2KDM4E
SCHEMBL12693213 0.74 NPC1 (0.46) CYP1A2MAPT
SCHEMBL2554009 0.72 ALOX15 (0.35) CRACR2A
Iodide SCHEMBL960051 0.69 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 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 4459/4885BACE1 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.