SCHEMBL21943056

SCHEMBL21943056

CN1CCN(Cc2ccc(NC(=O)c3cc(Oc4nc(-c5cccnc5)nc5nn(C)cc45)ccc3Cl)cc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.61
CCDC6 Q16204 2/20 0.61
KIF5B P33176 1/20 0.61
ABL1 P00519 5/20 0.52
CSF1R P07333 2/20 0.52
KIT P10721 2/20 0.52
LYN P07948 1/20 0.50
BCR P11274 1/20 0.50
EGFR P00533 1/20 0.49
BRAF P15056 1/20 0.49
FGFR1 P11362 1/20 0.49
KDR P35968 1/20 0.49
SRC P12931 2/20 0.48

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
SCHEMBL21943631 0.93 RET (0.67) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943053 0.93 RET (0.52) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943058 0.93 RET (0.55) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943009 0.92 RET (0.50) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943008 0.91 RET (0.49) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943086 0.91 RET (0.49) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943006 0.90 RET (0.49) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943010 0.90 RET (0.48) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943734 0.90 RET (0.67) RETCCDC6KIF5BABL1CSF1R
SCHEMBL21943057 0.90 FGFR1 (0.48) RETCCDC6KIF5BABL1KIT

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 RET 309/4885CCDC6 2970/4885KIF5B 4826/4885
US-11319322-B2 Substituted aryl ether compound, preparation method thereof, pharmaceutical composition and use thereof CYP4A11, CYP2D6, CYP3A43 RET 309/4885CCDC6 2970/4885KIF5B 4826/4885

“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.