SCHEMBL4401613

SCHEMBL4401613

COc1cc(OC)c(Cl)c(C#N)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL4405119 0.87 PDE4A (0.38) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL4395965 0.87 PDE4A (0.38) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL4406875 0.86 KDM4E (0.42) MAPTKMT2AKDM4EMAPK1SQOR
SCHEMBL4412464 0.84 ESR1 (0.38) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL4405384 0.84 ESR1 (0.38) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL15243968 0.81 GAA (0.33) GAA
SCHEMBL4401362 0.75 PDE4A (0.41) MAPTKMT2AKDM4EMAPK1LMNA
SCHEMBL27807167 0.74 NPC1 (0.39) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL4404567 0.74 NPC1 (0.42) MAPTKMT2AKDM4ENPC1RAB9A
SCHEMBL4404629 0.74 ESR1 (0.40) MAPTKMT2AKDM4ESQORLMNA

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 MAPT 3541/4885KMT2A 1984/4885KDM4E 954/4885

“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.