SCHEMBL4409280

SCHEMBL4409280

COc1cc(OC)c(F)c(C(=O)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAOA P21397 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
ERN1 O75460 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37

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
SCHEMBL4403271 0.86 KDM4E (0.43) SMN1; SMN2MAPK1CYP3A4MAPTNPSR1
SCHEMBL4409356 0.86 KDM4E (0.43) SMN1; SMN2MAPK1MAPTALDH1A1NPC1
SCHEMBL4404488 0.86 KDM4E (0.47) SMN1; SMN2MAPK1CYP3A4USP2HTT
SCHEMBL4406522 0.83 MAPT (0.42) MAPK1CYP3A4HTTMAPTLMNA
SCHEMBL4412863 0.83 NPC1 (0.43) SMN1; SMN2MAPK1CYP3A4USP2HTT
SCHEMBL1822622 0.81 GAA (0.48) SMN1; SMN2MAPK1CYP3A4USP2HTT
SCHEMBL16655117 0.78 KMT2A (0.40) SMN1; SMN2MAPK1CYP3A4USP2HTT
SCHEMBL4395658 0.76 KDM4E (0.49) SMN1; SMN2CYP3A4LMNAKDM4E
SCHEMBL10319165 0.75 NPC1 (0.62) SMN1; SMN2CYP3A4HTTMAPTLMNA
SCHEMBL4399166 0.74 LMNA (0.42) SMN1; SMN2MAPK1CYP3A4HTTNPSR1

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 SMN1; SMN2 4340/4885MAPK1 91/4885CYP3A4 2224/4885

“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.