SCHEMBL21943735

SCHEMBL21943735

Cn1ccc2c(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc(-c3cccnc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.51
▸ TEK Q02763 2/20 0.51
▸ PIKFYVE Q9Y2I7 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ABL1 P00519 4/20 0.50
▸ BCR P11274 4/20 0.50
▸ PDGFRB P09619 3/20 0.49
▸ FGFR1 P11362 3/20 0.49
▸ KDR P35968 2/20 0.49
▸ KIT P10721 1/20 0.49
▸ PDGFRA P16234 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ FGFR3 P22607 1/20 0.49
▸ CSF1R P07333 4/20 0.49
▸ ESYT2 A0FGR8 2/20 0.49
▸ NBAS A2RRP1 2/20 0.49
▸ CNOT1 A5YKK6 2/20 0.49
▸ TBKBP1 A7MCY6 2/20 0.49

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
SCHEMBL21943070 0.97 MEN1 (0.53) BRAFTEKPIKFYVEMEN1TSHR
SCHEMBL21943450 0.92 BRAF (0.51) BRAFTEKMEN1KMT2APDGFRB
SCHEMBL21943517 0.89 TEK (0.57) BRAFTEKPIKFYVEABL1BCR
SCHEMBL21943069 0.89 KDR (0.51) BRAFTEKMEN1TSHRKMT2A
SCHEMBL21943638 0.89 BRAF (0.54) BRAFTEKPIKFYVEABL1BCR
SCHEMBL21943534 0.88 KDR (0.58) BRAFTEKPIKFYVEMEN1TSHR
SCHEMBL21943013 0.87 MAPK14 (0.54) BRAFTEKPIKFYVEMEN1TSHR
SCHEMBL21944047 0.84 PIKFYVE (0.67) BRAFTEKPIKFYVEMEN1TSHR
SCHEMBL21975721 0.82 MEN1 (0.49) BRAFTEKPIKFYVEMEN1TSHR
SCHEMBL22024869 0.82 PIKFYVE (0.73) BRAFTEKPIKFYVEABL1BCR

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 95/4885TEK 2462/4885PIKFYVE 2706/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885TEK 2462/4885PIKFYVE 2706/4885

“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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