SCHEMBL4403276

SCHEMBL4403276

CCOc1cc(OC)c(Cl)c(C(=O)C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MITF O75030 2/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 2/20 0.36
PAK1 Q13153 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 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
SCHEMBL4403048 0.94 TSHR (0.41) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4412805 0.89 TSHR (0.47) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4398646 0.88 TSHR (0.45) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4405562 0.88 LMNA (0.39) MEN1KMT2AMAPK1CYP3A4KDM4E
SCHEMBL4398521 0.85 TSHR (0.44) TSHRMAPK1CYP3A4KDM4EMITF
SCHEMBL4408951 0.83 TSHR (0.47) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4405901 0.82 MAPK1 (0.37) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4397891 0.80 MEN1 (0.42) TSHRMEN1KMT2AMAPK1CYP3A4
SCHEMBL4398519 0.79 TSHR (0.51) TSHRMAPK1CYP3A4NPC1RAB9A
SCHEMBL4399132 0.78 TSHR (0.41) TSHRMAPK1CYP3A4KDM4ETHRB

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 3028/4885MEN1 3786/4885KMT2A 1984/4885

“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.