SCHEMBL17809941

SCHEMBL17809941

CNC(=O)c1ccc(-c2cc3c(cc2C(F)(F)F)NCCN3C)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.45
▸ MKNK2 Q9HBH9 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MTOR P42345 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ OTUD7B Q6GQQ9 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ MET P08581 1/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36

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
SCHEMBL17785581 0.89 LRRK2 (0.38) LRRK2NTRK1CREBBP
SCHEMBL24317108 0.87 MAPT (0.41) MAPTMTORUSP30OTUD7BLRRK2
SCHEMBL17809600 0.87 KDR (0.50) KDRMKNK2MAPTUSP30MET
SCHEMBL17799482 0.85 LRRK2 (0.38) LRRK2RAF1EPHX2
SCHEMBL24316847 0.82 USP30 (0.43) MAPTMTORUSP30OTUD7BATR
SCHEMBL17806389 0.80 KDR (0.44) KDRMKNK2MAPTUSP30MET
SCHEMBL21255159 0.79 GABRG2 (0.37) USP30LRRK2EPHX2
SCHEMBL17785613 0.74 CREBBP (0.49) LRRK2BRD4CREBBP
SCHEMBL29704414 0.74 CREBBP (0.49) LRRK2BRD4CREBBP
SCHEMBL30992866 0.68 GAA (0.43) MAPT

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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDR 2268/4885MKNK2 1286/4885MAPT 3833/4885

“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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