SCHEMBL962499

SCHEMBL962499

Cn1ncc(C=O)c1-n1ccc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
PARP1 P09874 1/20 0.38
MTNR1A P48039 1/20 0.37
SLC22A12 Q96S37 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
PKM P14618 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
DAO P14920 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL962978 0.82 MTNR1A (0.40) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL962976 0.82 MTNR1A (0.40) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL963808 0.79 PPARG (0.39) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL963804 0.77 MTNR1A (0.38) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL962123 0.75 L3MBTL1 (0.40) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL964593 0.72 KDM4E (0.37) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL962664 0.72 CDC7 (0.37) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL963806 0.71 MTNR1A (0.41) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL963810 0.71 MTNR1A (0.41) CDC7CDK2PARP1MTNR1ASLC22A12
SCHEMBL965084 0.71 CDC7 (0.36) CDC7CDK2PARP1MTNR1ASLC22A12

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 4 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
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 CDC7 2245/4885CDK2 2555/4885PARP1 1867/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885PARP1 1594/4885

“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.