SCHEMBL21943658

SCHEMBL21943658

Cc1ccc(Oc2cc(-c3ccncc3)nc3[nH]ccc23)cc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.59
▸ BRAF P15056 11/20 0.54
▸ CSF1R P07333 5/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ KIT P10721 4/20 0.44
▸ KDR P35968 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ TNNI3K Q59H18 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43

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
SCHEMBL21943016 0.92 PIKFYVE (0.70) PIKFYVEBRAFCSF1RKITKDR
SCHEMBL21943439 0.87 PIKFYVE (0.56) PIKFYVEBRAFKITKDRMAPK14
SCHEMBL21943518 0.87 PIKFYVE (0.64) PIKFYVEBRAFCSF1RPOLBKIT
SCHEMBL21943068 0.85 PIKFYVE (0.54) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943657 0.85 BRAF (0.53) PIKFYVEBRAFCSF1RPOLBGAA
SCHEMBL21943684 0.84 KDR (0.51) PIKFYVEBRAFCSF1RPOLBKIT
SCHEMBL21943533 0.83 KDR (0.58) PIKFYVEBRAFCSF1RPOLBKIT
SCHEMBL22024864 0.82 PIKFYVE (0.85) PIKFYVEBRAFCSF1RPOLBKIT
SCHEMBL21944047 0.79 PIKFYVE (0.67) PIKFYVEBRAFCSF1RKDRMAPK14
SCHEMBL22024705 0.78 PIKFYVE (0.75) PIKFYVEBRAFCSF1RPOLBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof XIAMEN UNIVERSITY (CN) 2022-05-03 — — US disclosed
US-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF XIAMEN UNIVERSITY (CN) 2020-04-23 — — 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-20200123162-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF CYP4A11, CYP2D6, CYP3A43 PIKFYVE 2706/4885BRAF 95/4885CSF1R 3749/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 PIKFYVE 2706/4885BRAF 95/4885CSF1R 3749/4885

“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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