SCHEMBL299805

SCHEMBL299805

O=C(O)c1ccc2c(c1)CCN2c1cc(Cl)ncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 4/20 0.43
ROCK1 Q13464 1/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
KDM4A O75164 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CYP17A1 P05093 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MCL1 Q07820 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL288754 0.86 SRD5A1 (0.52) RXRARXRBSRD5A1SRD5A2PDK1
SCHEMBL515765 0.82 GPR119 (0.45) SRD5A1SRD5A2CYP17A1GPR119
SCHEMBL6762394 0.77 ROCK1 (0.51) RXRARXRBRXRGROCK1CYP17A1
SCHEMBL288791 0.77 ROCK1 (0.61) ROCK1GPR119
SCHEMBL515085 0.77 KMT2A (0.49) ROCK1GAAALDH1A1
SCHEMBL23675130 0.76 IDO1 (0.46) ROCK1PDK1PDK2PDK3PDK4
SCHEMBL288160 0.76 ROCK1 (0.41) RXRARXRBRXRGROCK1CYP17A1
SCHEMBL29564807 0.76 IDO1 (0.46) ROCK1PDK1PDK2PDK3PDK4
SCHEMBL27818539 0.76 ROCK1 (0.39) RXRARXRBRXRGROCK1SRD5A1
SCHEMBL13063187 0.75 POLB (0.46) ROCK1SRD5A1SRD5A2KDM4AKDM4C

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
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
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

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 RXRA 541/4885RXRB 413/4885RXRG 368/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 RXRA 417/4885RXRB 295/4885RXRG 261/4885

“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.