SCHEMBL21943014

SCHEMBL21943014

O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Oc2cc(-c3cccnc3)nc3[nH]ccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 5/20 0.65
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ BRAF P15056 3/20 0.53
▸ MAPK14 Q16539 3/20 0.53
▸ KDR P35968 2/20 0.53
▸ TNNI3K Q59H18 1/20 0.53
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CSF1R P07333 2/20 0.49
▸ RAF1 P04049 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ MAP4K2 Q12851 1/20 0.47

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
SCHEMBL21944047 0.97 PIKFYVE (0.67) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943068 0.92 PIKFYVE (0.54) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943439 0.89 PIKFYVE (0.56) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943532 0.88 PIKFYVE (0.68) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943007 0.88 PIKFYVE (0.61) PIKFYVEMEN1KMT2ABRAFMAPK14
SCHEMBL21943516 0.87 PIKFYVE (0.75) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943016 0.86 PIKFYVE (0.70) PIKFYVEBRAFMAPK14KDRABL1
SCHEMBL22024706 0.85 PIKFYVE (0.78) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943070 0.84 MEN1 (0.53) PIKFYVEMEN1KMT2ATSHRBRAF
SCHEMBL21943735 0.81 BRAF (0.51) PIKFYVEMEN1KMT2ATSHRBRAF

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 2706/4885MEN1 1374/4885KMT2A 799/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 PIKFYVE 2706/4885MEN1 1374/4885KMT2A 799/4885

“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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