SCHEMBL4412464

SCHEMBL4412464

COc1cc(O)c(F)c(C#N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
HMGCR P04035 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
PAK1 Q13153 1/20 0.35
EGFR P00533 3/20 0.34
LMNA P02545 3/20 0.34
HSD17B10 Q99714 2/20 0.34
RGS12 O14924 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL4405384 0.87 ESR1 (0.38) ESR1ESR2KDM4ETDP1HMGCR
SCHEMBL4404629 0.84 ESR1 (0.40) ESR1ESR2KDM4ETDP1HMGCR
SCHEMBL4401613 0.84 MAPT (0.37) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL4399086 0.83 KDM4E (0.40) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL4405119 0.76 PDE4A (0.38) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL4403790 0.74 EP300 (0.43) ESR1ESR2HMGCRKMT2AMEN1
SCHEMBL4395965 0.73 PDE4A (0.38) KDM4EKMT2AMEN1MAPTLMNA
SCHEMBL4405723 0.71 HMGCR (0.40) ESR1ESR2HMGCRKMT2AMEN1
SCHEMBL21614374 0.71 HMGCR (0.41) ESR1ESR2KDM4EHMGCRKMT2A
SCHEMBL21614371 0.71 HMGCR (0.41) ESR1ESR2KDM4EHMGCRKMT2A

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 ESR1 1775/4885ESR2 2246/4885KDM4E 954/4885

“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.