SCHEMBL964593

SCHEMBL964593

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
CDC7 O00311 1/20 0.37
CDK2 P24941 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
ELANE P08246 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
BRAF P15056 1/20 0.34
PARP1 P09874 1/20 0.34
MTNR1A P48039 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
PKM P14618 1/20 0.33
CYP2A6 P11509 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL962638 0.85 ELANE (0.36) KDM4ECDC7CDK2L3MBTL1CYP2C19
SCHEMBL962639 0.85 ELANE (0.36) KDM4ECDC7CDK2L3MBTL1CYP2C19
SCHEMBL962123 0.83 L3MBTL1 (0.40) CDC7CDK2L3MBTL1CYP2C19LMNA
SCHEMBL964302 0.82 ELANE (0.36) KDM4ECDC7CDK2CYP2C19LMNA
SCHEMBL964303 0.82 ELANE (0.36) KDM4ECDC7CDK2CYP2C19LMNA
SCHEMBL962664 0.81 CDC7 (0.37) CDC7CDK2L3MBTL1CYP2C19BRAF
SCHEMBL962809 0.81 ADAMTS5 (0.35) L3MBTL1CYP2C19LMNAHTTSMN1; SMN2
SCHEMBL964300 0.80 KDM4E (0.38) KDM4ELMNAELANEALDH1A1PARP1
SCHEMBL965084 0.78 CDC7 (0.36) CDC7CDK2L3MBTL1CYP2C19BRAF
SCHEMBL27772595 0.78 PARP1 (0.34) KDM4ECDC7CDK2LMNAELANE

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 KDM4E 1314/4885CDC7 2245/4885CDK2 2555/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG KDM4E 1776/4885CDC7 4163/4885CDK2 2985/4885

“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.