SCHEMBL4404767

SCHEMBL4404767

CCOc1cc(O)c(F)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GLA P06280 1/20 0.38
LTA4H P09960 1/20 0.37
AR P10275 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
RECQL P46063 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
SCHEMBL4405379 0.83 CYP11B1 (0.43) CYP11B1CYP11B2GLAARHSD17B10
SCHEMBL4412659 0.81 CYP3A4 (0.45) CYP11B1CYP11B2ARNPC1ALDH1A1
SCHEMBL4551065 0.80 CYP11B1 (0.42) CYP11B1CYP11B2GLAARHSD17B10
SCHEMBL4406925 0.78 AR (0.39) CYP11B1CYP11B2ARHSD17B10ALDH1A1
SCHEMBL15057285 0.77 LTA4H (0.42) LTA4HHSD17B10MAPTALDH1A1MAOB
SCHEMBL4252680 0.76 GLA (0.49) CYP11B1CYP11B2GLALTA4HAR
SCHEMBL13755164 0.74 GLA (0.43) CYP11B1CYP11B2GLAARHSD17B10
SCHEMBL4407686 0.74 LTA4H (0.40) LTA4HHSD17B10MAPTMEN1KMT2A
SCHEMBL4403734 0.73 PDE4A (0.41) CYP11B1CYP11B2ARHSD17B10MAPT
SCHEMBL14999401 0.72 CYP11B1 (0.54) CYP11B1CYP11B2GLAARMAPT

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 CYP11B1 2119/4885CYP11B2 2537/4885GLA 2725/4885

“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.