SCHEMBL4401606

SCHEMBL4401606

COc1cc(OC)c(F)c(NCc2cnc(SC)nc2NC2CC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
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 5/20 0.35
PDGFRA P16234 5/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
SELP P16109 2/20 0.34
TYRO3 Q06418 2/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GPR6 P46095 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL4405370 0.96 PDGFRB (0.40) HTTMERTKPDE4BPDGFRBPDGFRA
SCHEMBL4410449 0.85 HTT (0.43) HTTKDM4E
SCHEMBL16071413 0.80 HTT (0.45) HTTMERTKPDE4BULK1ULK2
SCHEMBL4395977 0.79 HTT (0.34) HTTMERTKEGFRINSRLCK
SCHEMBL4410460 0.77 HTT (0.36) HTT
SCHEMBL4404755 0.75 MERTK (0.37) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL4404752 0.75 MERTK (0.37) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL15556649 0.74 JAK1 (0.44) PDGFRB
SCHEMBL29578379 0.73 MERTK (0.37) MERTKPDE4BULK1ULK2PDGFRB
SCHEMBL20331106 0.73 MERTK (0.37) 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 HTT 4608/4885MERTK 236/4885PDE4B 1642/4885

“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.