SCHEMBL15716249

SCHEMBL15716249

COCc1ccc(C(F)(F)F)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.43
PGR P06401 3/20 0.43
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL16957124 0.87 AR (0.54) ARPGRRXRARXRBRXRG
SCHEMBL15716296 0.85 MAOB (0.37) ARPGR
SCHEMBL16691050 0.81 AR (0.48) ARPGRRXRARXRBRXRG
SCHEMBL15716231 0.79 S1PR1 (0.42) AR
SCHEMBL25185937 0.78 RXRA (0.42) ARRXRARXRBRXRGSLC22A12
SCHEMBL20489873 0.78 LOXL2 (0.42) ARRXRARXRBRXRGSLC22A12
SCHEMBL10703186 0.78 AR (0.51) ARPGRRXRARXRBRXRG
SCHEMBL24108442 0.78 RXRA (0.42) ARPGRRXRARXRBRXRG
SCHEMBL14697183 0.78 RXRA (0.42) ARRXRARXRBRXRGSLC22A12
SCHEMBL31435395 0.78 RXRA (0.42) ARRXRARXRBRXRGSLC22A12

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-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 US disclosed
US-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-22 US disclosed
WO-2014078331-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO 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 (1 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-20160272592-A1 N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, CHUK AR 77/4885PGR 153/4885RXRA 1541/4885

“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.