SCHEMBL21943451

SCHEMBL21943451

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Oc1cc(-c2ccncc2)nc2c1ccn2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.58
▸ TEK Q02763 5/20 0.58
▸ YES1 P07947 3/20 0.54
▸ POLB P06746 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPK14 Q16539 5/20 0.49
▸ DDR1 Q08345 5/20 0.49
▸ DDR2 Q16832 4/20 0.49
▸ LCK P06239 4/20 0.49
▸ SRC P12931 4/20 0.49
▸ BRAF P15056 4/20 0.49
▸ PDGFRB P09619 3/20 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
▸ AGPS O00116 2/20 0.49
▸ MYO1F O00160 2/20 0.49
▸ SNAP23 O00161 2/20 0.49
▸ AP3B1 O00203 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
SCHEMBL21943519 0.94 CSF1R (0.54) KDRTEKYES1POLBKDM4E
SCHEMBL21943534 0.92 KDR (0.58) KDRTEKYES1POLBKDM4E
SCHEMBL21943069 0.89 KDR (0.51) KDRTEKPOLBKDM4EBRAF
SCHEMBL21943450 0.87 BRAF (0.51) KDRTEKPOLBKDM4EMAPK14
SCHEMBL21943452 0.87 KDR (0.47) KDRTEKPOLBKDM4EMAPK14
SCHEMBL22065428 0.87 POLB (0.58) KDRTEKYES1POLBKDM4E
SCHEMBL21943517 0.86 TEK (0.57) KDRTEKYES1MAPK14DDR1
SCHEMBL21943533 0.85 KDR (0.58) KDRTEKYES1POLBKDM4E
SCHEMBL21943657 0.84 BRAF (0.53) KDRPOLBKDM4EMAPK14DDR1
SCHEMBL22024557 0.82 PIKFYVE (0.61) KDRTEKYES1POLBKDM4E

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 2067/4885TEK 2462/4885YES1 722/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 KDR 2067/4885TEK 2462/4885YES1 722/4885

“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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