SCHEMBL4397891

SCHEMBL4397891

COc1cc(O)c(F)c(C(=O)C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PAK1 Q13153 1/20 0.42
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
DRD2 P14416 1/20 0.37
RAB9A P51151 2/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
PKM P14618 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
SCHEMBL4410411 0.88 MEN1 (0.39) MEN1KMT2APAK1HTTLMNA
SCHEMBL4405562 0.87 LMNA (0.39) MEN1KMT2APAK1HTTLMNA
SCHEMBL4411775 0.87 MEN1 (0.43) MEN1KMT2APAK1HTTLMNA
SCHEMBL5382289 0.85 HTT (0.41) MEN1KMT2AHTTLMNANPSR1
SCHEMBL4405901 0.84 MAPK1 (0.37) MEN1KMT2APAK1HTTLMNA
SCHEMBL4403276 0.80 TSHR (0.41) MEN1KMT2APAK1HTTLMNA
SCHEMBL31335980 0.78 KMT2A (0.47) MEN1KMT2APAK1HTTLMNA
SCHEMBL4403048 0.77 TSHR (0.41) MEN1KMT2AHTTLMNATP53
SCHEMBL4411496 0.75 PTGS2 (0.46) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL4399166 0.74 LMNA (0.42) MEN1KMT2AHTTLMNATP53

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 MEN1 3786/4885KMT2A 1984/4885PAK1 194/4885

“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.