SCHEMBL287753

SCHEMBL287753

Clc1cc(N2CCc3ncccc32)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
ROCK1 Q13464 2/20 0.34
OGA O60502 1/20 0.34
IDO1 P14902 1/20 0.33
CDC7 O00311 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
FLT3 P36888 1/20 0.33
CDK8 P49336 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
PRKX P51817 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 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
SCHEMBL6762394 0.79 ROCK1 (0.51) CYP17A1RXRARXRBROCK1RXRG
SCHEMBL28667775 0.74 ROCK1 (0.53) RXRARXRBROCK1AKT1RXRG
SCHEMBL30362762 0.74 ROCK1 (0.53) RXRARXRBROCK1AKT1RXRG
SCHEMBL2719913 0.72 GPR119 (0.40) ROCK1
SCHEMBL288643 0.72 TRPV1 (0.39) KCNQ2PTPN11KCNH2
SCHEMBL24496210 0.71 CYP17A1 (0.37) CYP17A1RXRARXRBOGACDC7
SCHEMBL12715052 0.70 MAP3K14 (0.56) CYP17A1RXRARXRBROCK1RXRG
SCHEMBL3713591 0.69 GPR119 (0.49)
SCHEMBL288160 0.68 ROCK1 (0.41) CYP17A1RXRARXRBROCK1RXRG
SCHEMBL29651160 0.68 RPS6KA5 (0.46) PTPN11KCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 CYP17A1 1390/4885RXRA 541/4885RXRB 413/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 CYP17A1 1221/4885RXRA 417/4885RXRB 295/4885

“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.