SCHEMBL21943070

SCHEMBL21943070

Cn1ccc2c(Oc3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)cc(-c3cccnc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ABL1 P00519 4/20 0.52
▸ BCR P11274 4/20 0.52
▸ BRAF P15056 5/20 0.51
▸ KDR P35968 3/20 0.51
▸ MAPK14 Q16539 3/20 0.51
▸ ESYT2 A0FGR8 2/20 0.51
▸ NBAS A2RRP1 2/20 0.51
▸ CNOT1 A5YKK6 2/20 0.51
▸ TBKBP1 A7MCY6 2/20 0.51
▸ AGPS O00116 2/20 0.51
▸ MYO1F O00160 2/20 0.51
▸ SNAP23 O00161 2/20 0.51
▸ AP3B1 O00203 2/20 0.51
▸ PSMD12 O00232 2/20 0.51
▸ BMPR1B O00238 2/20 0.51
▸ PGRMC1 O00264 2/20 0.51
▸ CLIC1 O00299 2/20 0.51

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
SCHEMBL21943735 0.97 BRAF (0.51) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943069 0.92 KDR (0.51) MEN1KMT2ATSHRBRAFKDR
SCHEMBL21943534 0.89 KDR (0.58) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943450 0.89 BRAF (0.51) MEN1KMT2ABRAFKDRMAPK14
SCHEMBL21943013 0.89 MAPK14 (0.54) MEN1KMT2ATSHRABL1BCR
SCHEMBL21943517 0.88 TEK (0.57) ABL1BCRBRAFKDRMAPK14
SCHEMBL21943638 0.87 BRAF (0.54) ABL1BCRBRAFKDRMAPK14
SCHEMBL21943014 0.84 PIKFYVE (0.65) MEN1KMT2ATSHRABL1BCR
SCHEMBL22024696 0.82 ABL1 (0.67) ABL1BCRBRAFKDRMAPK14
SCHEMBL21944047 0.81 PIKFYVE (0.67) MEN1KMT2ATSHRABL1BCR

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 MEN1 1374/4885KMT2A 799/4885TSHR 3409/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 MEN1 1374/4885KMT2A 799/4885TSHR 3409/4885

“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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