SCHEMBL15716296

SCHEMBL15716296

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
AR P10275 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 1/20 0.33
MAOA P21397 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
XDH P47989 1/20 0.32
NAMPT P43490 1/20 0.32
PTPN1 P18031 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PGR P06401 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15716249 0.85 AR (0.43) ARPGR
SCHEMBL11810348 0.81 CYP2A6 (0.44) MAOBARLMNAKDM4E
SCHEMBL11813296 0.79 ENPP2 (0.35) MAOBARTDP1MAOAESR1
SCHEMBL21718427 0.78 MAOB (0.39) MAOBARMAOAXDHTP53
SCHEMBL27837142 0.77 ALDH1A1 (0.38) MAOBL3MBTL1MEN1KMT2AATM
SCHEMBL15716029 0.76 MAOB (0.41) MAOBL3MBTL1MEN1KMT2AATM
SCHEMBL13172967 0.76 PTGDR2 (0.46) MAOBARL3MBTL1TDP1MAOA
SCHEMBL4696820 0.76 ALDH1A1 (0.56) MAOBARATMKDM4E
SCHEMBL16957124 0.75 AR (0.54) ARPGR
SCHEMBL19154837 0.74 AR (0.47) MAOBARL3MBTL1MEN1KMT2A

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 MAOB 2621/4885AR 77/4885L3MBTL1 3835/4885

“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.