SCHEMBL21944047

SCHEMBL21944047

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIKFYVE Q9Y2I7 5/20 0.67
▸ MEN1 O00255 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ BRAF P15056 6/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ TNNI3K Q59H18 1/20 0.51
▸ ABL1 P00519 1/20 0.49
▸ BCR P11274 1/20 0.49
▸ CSF1R P07333 3/20 0.49
▸ CDK8 P49336 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ TEK Q02763 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
SCHEMBL21943014 0.97 PIKFYVE (0.65) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL21943439 0.92 PIKFYVE (0.56) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL21943068 0.89 PIKFYVE (0.54) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL21943516 0.88 PIKFYVE (0.75) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL21943016 0.88 PIKFYVE (0.70) PIKFYVEBRAFKDRMAPK14ABL1
SCHEMBL21943532 0.87 PIKFYVE (0.68) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL21943007 0.86 PIKFYVE (0.61) PIKFYVEMEN1KMT2ABRAFKDR
SCHEMBL21943735 0.84 BRAF (0.51) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL22024706 0.83 PIKFYVE (0.78) PIKFYVEMEN1TSHRKMT2ABRAF
SCHEMBL12412290 0.81 MEN1 (0.71) MEN1TSHRKMT2ABRAFKDR

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 1374/4885TSHR 3409/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 PIKFYVE 2706/4885MEN1 1374/4885TSHR 3409/4885

“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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