SCHEMBL21943068

SCHEMBL21943068

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Oc2cc(-c3ccncc3)nc3[nH]ccc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.54
▸ KDR P35968 4/20 0.52
▸ BRAF P15056 4/20 0.52
▸ MAPK14 Q16539 3/20 0.52
▸ TNNI3K Q59H18 2/20 0.52
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CDK8 P49336 1/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ MAP4K2 Q12851 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TEK Q02763 1/20 0.45

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
SCHEMBL21943439 0.97 PIKFYVE (0.56) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21943014 0.92 PIKFYVE (0.65) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21944047 0.89 PIKFYVE (0.67) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21943533 0.88 KDR (0.58) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21943684 0.87 KDR (0.51) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21943518 0.86 PIKFYVE (0.64) PIKFYVEKDRBRAFMAPK14MAP3K7
SCHEMBL21943658 0.85 PIKFYVE (0.59) PIKFYVEKDRBRAFMAPK14TNNI3K
SCHEMBL21943069 0.84 KDR (0.51) KDRBRAFMAPTKDM4ERXFP1
SCHEMBL21943450 0.80 BRAF (0.51) KDRBRAFMAPK14MAPTKDM4E
SCHEMBL21943532 0.80 PIKFYVE (0.68) PIKFYVEKDRBRAFMAPK14MAPT

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 2706/4885KDR 2067/4885BRAF 95/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 PIKFYVE 2706/4885KDR 2067/4885BRAF 95/4885

“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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