SCHEMBL4398124

SCHEMBL4398124

CCOc1cc(OC)c(F)c(CO)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.38
PDE4A P27815 7/20 0.37
PDE4B Q07343 7/20 0.37
PDE4C Q08493 7/20 0.37
PDE4D Q08499 7/20 0.37
TUBB1 Q9H4B7 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FGFR1 P11362 1/20 0.35

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
SCHEMBL4398340 0.93 TSHR (0.41) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL4411924 0.89 PDE4A (0.43) MAPTMAPK1PDE4APDE4BPDE4C
SCHEMBL4408963 0.87 ENPP1 (0.36) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL4395425 0.87 ENPP1 (0.36) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL4405835 0.81 TSHR (0.46) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL21305112 0.79 TSHR (0.39) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL15725748 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4406758 0.78 KDM4E (0.49) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL4403305 0.78 HMGCR (0.43) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4405403 0.76 PDE4A (0.37) KDM4EGAAPDE4APDE4BPDE4C

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
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
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 TSHR 3028/4885KDM4E 954/4885GAA 1727/4885

“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.