SCHEMBL17660346

SCHEMBL17660346

CCc1ccc(-c2ccnc(N)c2N)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 10/20 0.42
▸ FEN1 P39748 10/20 0.42
▸ USP7 Q93009 2/20 0.40
▸ ENPP1 P22413 1/20 0.38
▸ EPHB4 P54760 1/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ BTK Q06187 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BDKRB1 P46663 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
SCHEMBL17670765 0.87 BTK (0.41) ALOX5APFEN1USP7ENPP1EPHB4
SCHEMBL17645746 0.80 BTK (0.41) ENPP1BTKBDKRB1
SCHEMBL2781920 0.80 NOS3 (0.47) ALOX5APFEN1EPHB4NOS3NOS2
SCHEMBL17645694 0.77 BTK (0.43) ALOX5APFEN1BTKBDKRB1
SCHEMBL17670764 0.75 MAPK1 (0.45) ALOX5APFEN1BTKMTOR
SCHEMBL17646014 0.75 EPHX2 (0.58) BTK
SCHEMBL17645985 0.74 GRM2 (0.37) ALOX5APFEN1BTK
SCHEMBL15471657 0.73 ESR1 (0.46) ALOX5APFEN1
SCHEMBL17555671 0.72 CDK2 (0.43) USP7NOS3NOS2
SCHEMBL19997549 0.72 DYRK1A (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN ALOX5AP 3157/4885FEN1 3034/4885USP7 3176/4885

“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.

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