SCHEMBL965084

SCHEMBL965084

Cn1nc(C2CC2)c(C=O)c1-n1ccc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP2C19 P33261 1/20 0.34
PARP1 P09874 1/20 0.33
MTNR1A P48039 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
HTR6 P50406 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM4 Q14833 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
PKM P14618 1/20 0.32
CYP2A6 P11509 1/20 0.32
BRAF P15056 2/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
ERN1 O75460 1/20 0.31
ENPP3 O14638 1/20 0.31
MAT2A P31153 1/20 0.31

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
SCHEMBL966633 0.85 PARP1 (0.34) CDC7CDK2L3MBTL1CYP2C19PARP1
SCHEMBL966634 0.85 PARP1 (0.34) CDC7CDK2L3MBTL1CYP2C19PARP1
SCHEMBL962123 0.82 L3MBTL1 (0.40) CDC7CDK2L3MBTL1CYP2C19PARP1
SCHEMBL962789 0.82 MTNR1A (0.34) CDC7CDK2CYP2C19PARP1MTNR1A
SCHEMBL962781 0.82 MTNR1A (0.34) CDC7CDK2CYP2C19PARP1MTNR1A
SCHEMBL966734 0.81 IRAK4 (0.35)
SCHEMBL962786 0.81 LMNA (0.35) MTNR1ASLC22A12
SCHEMBL962664 0.78 CDC7 (0.37) CDC7CDK2L3MBTL1CYP2C19PARP1
SCHEMBL964593 0.78 KDM4E (0.37) CDC7CDK2L3MBTL1CYP2C19PARP1
SCHEMBL27772609 0.78 PARP1 (0.34) CDC7CDK2PARP1MTNR1AHTR6

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 2 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
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 2555/4885L3MBTL1 2943/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG CDC7 4163/4885CDK2 2985/4885L3MBTL1 3858/4885

“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.