SCHEMBL4404755

SCHEMBL4404755

COc1cc(OC)c(F)c(N=Cc2cnc(SC)nc2NC2CC2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.37
PDE4B Q07343 2/20 0.37
ULK1 O75385 2/20 0.36
ULK2 Q8IYT8 2/20 0.36
PDGFRB P09619 7/20 0.35
PDGFRA P16234 7/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL4404752 1.00 MERTK (0.37) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL4395951 0.96 PDGFRB (0.40) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL4395948 0.96 PDGFRB (0.40) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL4403038 0.83 KDM4E (0.37) KDM4EBCL6
SCHEMBL4403044 0.83 KDM4E (0.37) KDM4EBCL6
SCHEMBL4395458 0.78 HTT (0.34) MERTKCYP1A2TSHRLMNACYP2C19
SCHEMBL4395453 0.78 HTT (0.34) MERTKCYP1A2TSHRLMNACYP2C19
SCHEMBL6206210 0.77 KDM4E (0.31) KDM4EMEN1KMT2A
SCHEMBL4403040 0.76 HTR2A (0.32) KDM4E
SCHEMBL4401606 0.75 HTT (0.39) MERTKPDE4BULK1ULK2PDGFRB

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 6 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
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO 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 MERTK 236/4885PDE4B 1642/4885ULK1 624/4885

“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.