SCHEMBL21943657

SCHEMBL21943657

Cc1ccc(Oc2cc(-c3ccncc3)nc3c2ccn3C)cc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 9/20 0.53
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CSF1R P07333 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ KIT P10721 5/20 0.45
▸ PIKFYVE Q9Y2I7 1/20 0.44
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 2/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42

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
SCHEMBL21943638 0.92 BRAF (0.54) BRAFPOLBKDM4ECSF1RGAA
SCHEMBL21943450 0.88 BRAF (0.51) BRAFPOLBKDM4EGAAKIT
SCHEMBL21943519 0.87 CSF1R (0.54) BRAFPOLBKDM4ECSF1RKIT
SCHEMBL21943069 0.87 KDR (0.51) BRAFPOLBKDM4EKITPDGFRB
SCHEMBL21943658 0.85 PIKFYVE (0.59) BRAFPOLBCSF1RGAAKIT
SCHEMBL21943452 0.85 KDR (0.47) BRAFPOLBKDM4ECSF1RKIT
SCHEMBL21943451 0.84 KDR (0.58) BRAFPOLBKDM4ECSF1RKIT
SCHEMBL22024557 0.83 PIKFYVE (0.61) BRAFPOLBKDM4ECSF1RKIT
SCHEMBL21943735 0.81 BRAF (0.51) BRAFPOLBKDM4ECSF1RKIT
SCHEMBL22065428 0.80 POLB (0.58) BRAFPOLBKDM4ECSF1RKIT

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 BRAF 95/4885POLB 4357/4885KDM4E 229/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885POLB 4357/4885KDM4E 229/4885

“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.

Send feedback