SCHEMBL965576

SCHEMBL965576

Cc1nn(C)c(-n2ccc3cnccc32)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
TGFBR1 P36897 11/20 0.39
MKNK2 Q9HBH9 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CYP2A6 P11509 1/20 0.35
ERN1 O75460 1/20 0.34

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
SCHEMBL962802 0.90 MAPT (0.45) CDC7CDK2RAPGEF4MAPT
SCHEMBL961623 0.83 ALDH1A1 (0.47) CDC7CDK2RAPGEF4TGFBR1MKNK2
SCHEMBL961622 0.83 ALDH1A1 (0.47) CDC7CDK2RAPGEF4TGFBR1MKNK2
SCHEMBL965856 0.83 HTT (0.40) CDC7CDK2SMN1; SMN2MAPT
SCHEMBL961972 0.81 ROCK1 (0.41) SMN1; SMN2MAPTCYP2A6
SCHEMBL963262 0.80 TBXAS1 (0.36) CDC7CDK2RAPGEF4TGFBR1MKNK2
SCHEMBL963260 0.80 TBXAS1 (0.36) CDC7CDK2RAPGEF4TGFBR1MKNK2
SCHEMBL963258 0.79 CCNC (0.47) CDC7CDK2RAPGEF4TGFBR1MKNK2
SCHEMBL962714 0.79 ALDH1A1 (0.38) SMN1; SMN2MAPTCYP2A6
SCHEMBL963702 0.79 SMN1; SMN2 (0.45) CDK2SMN1; SMN2MAPTCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110672-A1 USE OF A C-GLYCOSIDE DERIVATIVE AS AN ANTI-OXIDANT AGENT L'OREAL (FR) 2008-09-18 WO claimed
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
EP-2043594-A2 COSMETIC USE OF A C-GLYCOSIDE DERIVATIVE IN COMBINATION WITH ASCORBIC ACID L'Oreal (FR) 2009-04-08 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
WO-2008003900-A2 COSMETIC USE OF A C-GLYCOSIDE DERIVATIVE IN COMBINATION WITH ASCORBIC ACID L'OREAL (FR) 2008-01-10 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 CDC7 2245/4885CDK2 2555/4885RAPGEF4 2802/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885RAPGEF4 952/4885

“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.