SCHEMBL21943439

SCHEMBL21943439

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 2/20 0.56
▸ BRAF P15056 7/20 0.50
▸ KDR P35968 2/20 0.50
▸ MAPK14 Q16539 2/20 0.50
▸ TNNI3K Q59H18 1/20 0.50
▸ ESR1 P03372 1/20 0.48
▸ PDGFRB P09619 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ FLT1 P17948 1/20 0.48
▸ FGFR3 P22607 1/20 0.48
▸ TEK Q02763 1/20 0.48
▸ CDK8 P49336 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KCNK3 O14649 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAP3K7 O43318 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
SCHEMBL21943068 0.97 PIKFYVE (0.54) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21944047 0.92 PIKFYVE (0.67) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943014 0.89 PIKFYVE (0.65) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943518 0.88 PIKFYVE (0.64) PIKFYVEBRAFKDRMAPK14ESR1
SCHEMBL21943658 0.87 PIKFYVE (0.59) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943533 0.86 KDR (0.58) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943684 0.85 KDR (0.51) PIKFYVEBRAFKDRMAPK14TNNI3K
SCHEMBL21943450 0.84 BRAF (0.51) BRAFKDRMAPK14PDGFRBKIT
SCHEMBL21943069 0.80 KDR (0.51) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943516 0.80 PIKFYVE (0.75) PIKFYVEBRAFKDRMAPK14PDGFRB

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

“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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