SCHEMBL21943752

SCHEMBL21943752

Cc1ccc(Oc2nc(-c3cccnc3)nc3c2ncn3C)cc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
KDR P35968 7/20 0.54
KIT P10721 5/20 0.54
CSF1R P07333 3/20 0.54
LCK P06239 9/20 0.52
BTK Q06187 7/20 0.52
BRAF P15056 3/20 0.52
SRC P12931 3/20 0.52
SYK P43405 3/20 0.52
ESYT2 A0FGR8 2/20 0.52
NBAS A2RRP1 2/20 0.52
CNOT1 A5YKK6 2/20 0.52
TBKBP1 A7MCY6 2/20 0.52
AGPS O00116 2/20 0.52
MYO1F O00160 2/20 0.52
SNAP23 O00161 2/20 0.52
AP3B1 O00203 2/20 0.52
PSMD12 O00232 2/20 0.52
BMPR1B O00238 2/20 0.52
PGRMC1 O00264 2/20 0.52

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
SCHEMBL21942945 0.92 KDR (0.48) MAPK14KDRKITCSF1RLCK
SCHEMBL21942934 0.90 BRAF (0.53) MAPK14KDRKITCSF1RLCK
SCHEMBL21943333 0.88 KDR (0.61) MAPK14KDRKITCSF1RLCK
SCHEMBL21943325 0.88 BRAF (0.52) MAPK14KDRKITCSF1RLCK
SCHEMBL21943705 0.85 BRAF (0.55) MAPK14KDRKITCSF1RLCK
SCHEMBL21944012 0.83 RET (0.62) KITCSF1RBRAFSRCABL1
SCHEMBL21943413 0.83 LCK (0.67) MAPK14KDRKITCSF1RLCK
SCHEMBL21943580 0.81 GGPS1 (0.51) KDRKITBRAFPDGFRBFGFR1
SCHEMBL21943499 0.80 KDR (0.59) MAPK14KDRKITCSF1RLCK
SCHEMBL22025031 0.80 BRAF (0.75) MAPK14KDRKITCSF1RLCK

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 MAPK14 926/4885KDR 2067/4885KIT 603/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 MAPK14 926/4885KDR 2067/4885KIT 603/4885

“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.