SCHEMBL4403250

SCHEMBL4403250

CCOc1cc(OC)c(F)[c]c1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
TUBB1 Q9H4B7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CALM1 P0DP23 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL4403242 0.92 TSHR (0.41) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL4398114 0.85 KDM4E (0.41) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL4551089 0.85 KDM4E (0.41) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL2233817 0.85 CYP3A4 (0.36) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL28662301 0.75 KDM4E (0.57) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL28311309 0.75 KDM4E (0.57) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL5352148 0.74 HTR2A (0.36) MAPTMAPK1TUBB1HTR2AHTR2C
SCHEMBL4396210 0.72 KDM4E (0.39) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL4398567 0.72 MAPT (0.39) KDM4EGAAMAPTTSHRMAPK1
SCHEMBL4405926 0.71 HMGCR (0.42) KDM4EMAPTTSHRMAPK1TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (1 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 KDM4E 954/4885GAA 1727/4885MAPT 3541/4885

“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.