SCHEMBL17660350

SCHEMBL17660350

CCc1ccc(-c2ccnc3[nH]c(-c4ccccc4)nc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.41
▸ EGFR P00533 6/20 0.41
▸ BTK Q06187 4/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL17660349 0.89 BTK (0.44) MAPK14EGFRBTKCYP1A1CYP1A2
SCHEMBL17660347 0.88 BTK (0.43) MAPK14BTKPTGDR2
SCHEMBL17660348 0.87 DHODH (0.45) DHODH
SCHEMBL17664692 0.82 BTK (0.46) BTK
SCHEMBL17645984 0.78 MAPK14 (0.42) MAPK14BTK
SCHEMBL17645796 0.78 BTK (0.42) BTK
SCHEMBL17646003 0.78 MAPK14 (0.42) MAPK14BTK
SCHEMBL17646013 0.77 MGAT2 (0.47) MAPK14BTKDHODH
SCHEMBL17646039 0.77 MGAT2 (0.47) MAPK14BTKDHODH
SCHEMBL17645976 0.77 BTK (0.41) EGFRBTKDHODH

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 MAPK14 812/4885EGFR 397/4885BTK 1/4885

“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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