Sugi Predict

Sugi Predict / Compounds / SCHEMBL21944043

SCHEMBL21944043

SCHEMBL21944043

Cn1cc2c(Oc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)nc(-c3ccncc3)nc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.55
▸ PDGFRB P09619 2/20 0.55
▸ FGFR1 P11362 2/20 0.55
▸ MAPK14 Q16539 2/20 0.55
▸ FLT3 P36888 2/20 0.55
▸ NTRK1 P04629 2/20 0.55
▸ ESYT2 A0FGR8 1/20 0.55
▸ HACL2 A1L0T0 1/20 0.55
▸ NBAS A2RRP1 1/20 0.55
▸ GTPBP10 A4D1E9 1/20 0.55
▸ CNOT1 A5YKK6 1/20 0.55
▸ TBKBP1 A7MCY6 1/20 0.55
▸ AGPS O00116 1/20 0.55
▸ ACOT7 O00154 1/20 0.55
▸ MYO1F O00160 1/20 0.55
▸ SNAP23 O00161 1/20 0.55
▸ HAX1 O00165 1/20 0.55
▸ AIP O00170 1/20 0.55
▸ AP3B1 O00203 1/20 0.55
▸ PSMD11 O00231 1/20 0.55

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
SCHEMBL21943762 0.97 BRAF (0.57) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21944046 0.92 BRAF (0.66) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943538 0.89 BRAF (0.59) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943004 0.88 BRAF (0.55) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943424 0.88 BRAF (0.68) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943425 0.88 MAPK14 (0.56) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943629 0.88 MAPK14 (0.65) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943760 0.82 BRAF (0.45) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943539 0.81 BRAF (0.71) BRAFPDGFRBFGFR1MAPK14FLT3
SCHEMBL21943537 0.81 LMNA (0.51) BRAFPDGFRBFGFR1MAPK14FLT3

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 95/4885PDGFRB 1488/4885FGFR1 319/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 BRAF 95/4885PDGFRB 1488/4885FGFR1 319/4885

“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.