SCHEMBL962802

SCHEMBL962802

Cc1nn(C)c(-n2ccc3ccncc32)c1C=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.45
CYP19A1 P11511 3/20 0.42
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL965576 0.90 CDC7 (0.39) MAPTCDC7CDK2RAPGEF4
SCHEMBL4554436 0.88 MAPT (0.42) MAPTCYP19A1CDC7CDK2RAPGEF4
SCHEMBL962759 0.83 ALDH1A1 (0.47) MAPTCYP19A1CDC7CDK2
SCHEMBL962758 0.83 ALDH1A1 (0.47) MAPTCYP19A1CDC7CDK2
SCHEMBL965856 0.83 HTT (0.40) MAPTCDC7CDK2
SCHEMBL964752 0.80 MAPT (0.38) MAPTCYP19A1CDC7CDK2RAPGEF4
SCHEMBL964750 0.80 MAPT (0.38) MAPTCYP19A1CDC7CDK2RAPGEF4
SCHEMBL964749 0.79 CCNC (0.47) MAPTCYP19A1
SCHEMBL966593 0.79 CDC7 (0.40) MAPTCDC7CDK2
SCHEMBL965606 0.79 SMN1; SMN2 (0.45) MAPTCDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 4343/4885CYP19A1 187/4885CDC7 2245/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885CYP19A1 355/4885CDC7 4163/4885

“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.