SCHEMBL4403790

SCHEMBL4403790

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.43
HMGCR P04035 1/20 0.38
GAA P10253 3/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PAK1 Q13153 1/20 0.37
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
MAOB P27338 1/20 0.34
G6PD P11413 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
FYN P06241 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4411834 0.85 EP300 (0.43) EP300HMGCRGAANPC1MEN1
SCHEMBL1823311 0.82 GAA (0.45) EP300GAANPC1MEN1KMT2A
SCHEMBL23653180 0.82 EP300 (0.47) EP300HMGCRGAANPC1MEN1
SCHEMBL4397871 0.82 EP300 (0.47) EP300HMGCRGAAMEN1KMT2A
SCHEMBL4398918 0.81 MAPT (0.36) GAANPC1MEN1KMT2AHTT
SCHEMBL159064 0.75 GAA (0.54) EP300GAANPC1MEN1KMT2A
SCHEMBL4405723 0.75 HMGCR (0.40) HMGCRMEN1KMT2APAK1HTT
SCHEMBL21614374 0.75 HMGCR (0.41) EP300HMGCRMEN1KMT2APAK1
SCHEMBL21614371 0.75 HMGCR (0.41) EP300HMGCRMEN1KMT2APAK1
SCHEMBL31569452 0.75 NPC1 (0.41) GAANPC1MEN1KMT2AALDH1A1

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 1798/4885GAA 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.