SCHEMBL21943450

SCHEMBL21943450

Cn1ccc2c(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cc(-c3ccncc3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.51
▸ KDR P35968 4/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ FGFR1 P11362 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ TEK Q02763 1/20 0.51
▸ EPHB4 P54760 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ RAF1 P04049 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL21943069 0.97 KDR (0.51) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943735 0.92 BRAF (0.51) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943519 0.89 CSF1R (0.54) BRAFKDRPDGFRBKITTEK
SCHEMBL21943070 0.89 MEN1 (0.53) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943657 0.88 BRAF (0.53) BRAFKDRPDGFRBKITPDGFRA
SCHEMBL21943451 0.87 KDR (0.58) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943452 0.87 KDR (0.47) BRAFKDRPDGFRBKITFLT1
SCHEMBL21943439 0.84 PIKFYVE (0.56) BRAFKDRPDGFRBKITFGFR1
SCHEMBL22024557 0.82 PIKFYVE (0.61) BRAFKDRPDGFRBKITFGFR1
SCHEMBL21943068 0.80 PIKFYVE (0.54) BRAFKDRTEKKDM4EMAPT

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 BRAF 95/4885KDR 2067/4885PDGFRB 1488/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885KDR 2067/4885PDGFRB 1488/4885

“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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