SCHEMBL21943684

SCHEMBL21943684

Cc1ccc(Oc2cc(-c3ccncc3)nc3[nH]ccc23)cc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.51
▸ MAPK14 Q16539 7/20 0.51
▸ BRAF P15056 5/20 0.51
▸ TNNI3K Q59H18 3/20 0.51
▸ PIKFYVE Q9Y2I7 1/20 0.51
▸ KIT P10721 3/20 0.48
▸ CSF1R P07333 2/20 0.48
▸ LCK P06239 4/20 0.47
▸ SRC P12931 1/20 0.47
▸ MET P08581 1/20 0.46
▸ TEK Q02763 1/20 0.45
▸ RXFP1 Q9HBX9 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ IDE P14735 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ BTK Q06187 1/20 0.44

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
SCHEMBL21943007 0.92 PIKFYVE (0.61) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL21943068 0.87 PIKFYVE (0.54) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL21943533 0.87 KDR (0.58) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL21943439 0.85 PIKFYVE (0.56) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL21943452 0.85 KDR (0.47) KDRMAPK14BRAFTNNI3KKIT
SCHEMBL21943658 0.84 PIKFYVE (0.59) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL21943518 0.83 PIKFYVE (0.64) KDRMAPK14BRAFPIKFYVEKIT
SCHEMBL21943551 0.83 NTRK3 (0.49) KDRBRAFKIT
SCHEMBL21943014 0.79 PIKFYVE (0.65) KDRMAPK14BRAFTNNI3KPIKFYVE
SCHEMBL22024705 0.78 PIKFYVE (0.75) KDRMAPK14BRAFPIKFYVEKIT

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 3 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
EP-3647313-A1 SUBSTITUTED ARYL ETHER COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Xiamen University (CN) 2020-05-06 — — EP 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 KDR 2067/4885MAPK14 926/4885BRAF 95/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 KDR 2067/4885MAPK14 926/4885BRAF 95/4885

“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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