SCHEMBL612205

SCHEMBL612205

Cn1nc(Cl)cc(Nc2ccc(C3CCN(C(=O)O)C3)cn2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.40
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
BTK Q06187 2/20 0.37
PROKR1 Q8TCW9 4/20 0.36
MAP3K12 Q12852 1/20 0.35
GRM5 P41594 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL610397 0.94 FASN (0.43) FASNDDB1CRBNGRM5CDK4
SCHEMBL610903 0.89 FASN (0.43) FASNDDB1CRBNBTKCDK4
SCHEMBL612067 0.88 DDB1 (0.51) DDB1CRBNLMNATP53MAPT
SCHEMBL610780 0.88 DDB1 (0.51) DDB1CRBNLMNATP53MAPT
SCHEMBL610349 0.88 DDB1 (0.51) DDB1CRBNLMNATP53MAPT
SCHEMBL607847 0.87 CDK6 (0.41) FASNBTKCDK4CCND1
SCHEMBL610863 0.87 CDK6 (0.41) FASNBTKCDK4CCND1
SCHEMBL611366 0.87 CDK6 (0.41) FASNBTKCDK4CCND1
SCHEMBL609068 0.85 CDK4 (0.45) FASNBTKCDK4CCND1
SCHEMBL627707 0.84 TYK2 (0.36) FASNDDB1CRBNBTKCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN FASN 4211/4885DDB1 1288/4885CRBN 825/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN FASN 4211/4885DDB1 1288/4885CRBN 825/4885

“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.