SCHEMBL15716259

SCHEMBL15716259

COCc1ccc(C2CC2(F)F)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NAMPT P43490 2/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
KDM4A O75164 1/20 0.35
NQO2 P16083 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GLS O94925 2/20 0.34
TSHR P16473 1/20 0.34
HDAC1 Q13547 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
GRM2 Q14416 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
KCNA5 P22460 1/20 0.33

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
SCHEMBL15716380 0.78 NAMPT (0.36) GAANAMPTFPR3FPR2KDM4A
SCHEMBL18084617 0.77 MAPK1 (0.30) MAPK1
SCHEMBL15716210 0.76 GAA (0.40) GAANAMPTKDM4ANQO2L3MBTL1
SCHEMBL15727449 0.74 MAOB (0.33)
SCHEMBL13833567 0.73 GAA (0.55) GAABRD4NAMPTKDM4AL3MBTL1
SCHEMBL15716204 0.72 NSD2 (0.40) GAANAMPTKDM4AL3MBTL1HDAC10
SCHEMBL24822573 0.70 ALDH1A1 (0.49) GAANAMPTL3MBTL1TSHRPOLB
SCHEMBL24822620 0.70 GRM2 (0.44) GAANAMPTKDM4AL3MBTL1TSHR
SCHEMBL15716097 0.70 IDO1 (0.35) GRM2
SCHEMBL5031794 0.68 PPARD (0.44) KDM4APOLB

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 GAA 2907/4885BRD4 3608/4885CREBBP 2496/4885

“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.