SCHEMBL4397871

SCHEMBL4397871

COc1cc(O)c(F)c(N)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.47
HMGCR P04035 2/20 0.41
HTT P42858 1/20 0.38
MAOB P27338 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
MAPT P10636 4/20 0.35
CA2 P00918 3/20 0.35
TP53 P04637 3/20 0.35
CYP3A4 P08684 3/20 0.35
TSHR P16473 2/20 0.35
CA1 P00915 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NR3C1 P04150 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34

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
SCHEMBL24436688 0.85 HMGCR (0.45) EP300HMGCRHTTMAOBTUBB1
SCHEMBL1822586 0.84 GAA (0.43) EP300HTTTUBB1MAPTCYP3A4
SCHEMBL4411834 0.82 EP300 (0.43) EP300HMGCRHTTMAOBTUBB1
SCHEMBL4403790 0.82 EP300 (0.43) EP300HMGCRHTTMAOBTUBB1
SCHEMBL16134073 0.77 POLB (0.40) EP300TUBB1MAPTCYP3A4TSHR
SCHEMBL24445888 0.74 MAOB (0.40) HMGCRHTTMAOBTUBB1MAPT
SCHEMBL3623027 0.72 ACHE (0.48) HMGCRMAOBTUBB1MAPTCA2
SCHEMBL21614404 0.72 CYP3A4 (0.46) EP300HMGCRHTTMAOBTUBB1
SCHEMBL4403305 0.72 HMGCR (0.43) HMGCRHTTMAOBTUBB1CYP3A4
SCHEMBL4406758 0.72 KDM4E (0.49) TUBB1MAPTCYP3A4TSHRMAPK1

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 EP300 1724/4885HMGCR 1798/4885HTT 4608/4885

“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.