SCHEMBL21943551

SCHEMBL21943551

Cc1ccc(Oc2cc(-c3ccncc3)nc3[nH]ccc23)cc1C(=O)Nc1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTRK3 Q16288 8/20 0.49
▸ NTRK1 P04629 6/20 0.49
▸ NTRK2 Q16620 6/20 0.49
▸ DDR2 Q16832 9/20 0.47
▸ BRAF P15056 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ DDR1 Q08345 6/20 0.43
▸ ABL1 P00519 4/20 0.43
▸ MAP3K7 O43318 1/20 0.43
▸ MAP4K2 Q12851 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ ALK Q9UM73 1/20 0.42
▸ BCR P11274 1/20 0.41

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
SCHEMBL21943088 0.87 SRC (0.55) BRAFABL1MAP3K7MAP4K2KIT
SCHEMBL21943684 0.83 KDR (0.51) BRAFKDRKIT
SCHEMBL21942989 0.83 DDR2 (0.50) NTRK3NTRK1NTRK2DDR2BRAF
SCHEMBL22024548 0.82 DDR2 (0.56) NTRK3NTRK1NTRK2DDR2BRAF
SCHEMBL21943090 0.81 KIT (0.55) BRAFABL1MAP3K7MAP4K2KIT
SCHEMBL21943019 0.81 KIT (0.53) BRAFDDR1ABL1MAP3K7MAP4K2
SCHEMBL22024709 0.80 DDR2 (0.52) NTRK3NTRK1NTRK2DDR2BRAF
SCHEMBL21943529 0.80 KIT (0.52) BRAFDDR1ABL1MAP3K7MAP4K2
SCHEMBL21943462 0.80 KIT (0.52) BRAFDDR1ABL1MAP3K7MAP4K2
SCHEMBL21943387 0.80 KDR (0.55) NTRK3NTRK1NTRK2DDR2BRAF

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 NTRK3 1266/4885NTRK1 2046/4885NTRK2 2755/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 NTRK3 1266/4885NTRK1 2046/4885NTRK2 2755/4885

“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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