SCHEMBL4097558

SCHEMBL4097558

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(C(=O)N4CCNCC4)cc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 13/20 0.54
MKNK1 Q9BUB5 6/20 0.51
ATR Q13535 4/20 0.47
SIGMAR1 Q99720 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL4106229 0.89 MKNK2 (0.51) MKNK2MKNK1ATRCCNCCDK8
SCHEMBL4106998 0.89 POLB (0.49) MKNK2MKNK1ATRADORA2AADORA1
SCHEMBL4112651 0.85 MKNK2 (0.50) MKNK2MKNK1ATR
SCHEMBL4112668 0.84 MKNK2 (0.58) MKNK2MKNK1ATRSIGMAR1ADORA2A
SCHEMBL4112835 0.83 PIM1 (0.45) SIGMAR1
SCHEMBL4095783 0.82 MPO (0.41) MKNK2
SCHEMBL4102787 0.82 PLA2G10 (0.47) MKNK2MKNK1ATR
SCHEMBL4106206 0.81 MPO (0.41) MKNK2
SCHEMBL4102253 0.80 ATR (0.46) ATR
SCHEMBL4100889 0.80 ADORA2A (0.52) MKNK2MKNK1ATRADORA2AADORA1

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
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MKNK2 4057/4885MKNK1 3562/4885ATR 3290/4885

“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.