SCHEMBL3610322

SCHEMBL3610322

Nc1nc(OCC2CC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
CDK2 P24941 8/20 0.39
MAP4K4 O95819 3/20 0.39
CCNA2 P20248 6/20 0.37
CCNA1 P78396 6/20 0.37
CDK1 P06493 3/20 0.37
CCNB1 P14635 3/20 0.37
DHFR P00374 2/20 0.37
DCPS Q96C86 2/20 0.37
MAPK14 Q16539 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CCNB2 O95067 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
CNR1 P21554 1/20 0.36
MPO P05164 1/20 0.36
MAPK3 P27361 1/20 0.36
CLK1 P49759 1/20 0.36
CDK5 Q00535 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL3608999 0.95 CDK2 (0.46) PDE5ACDK2MAP4K4CCNA2CCNA1
SCHEMBL13500406 0.88 MAP4K4 (0.44) PDE5AMAP4K4DHFRDCPSCNR1
SCHEMBL3598976 0.88 CDK2 (0.48) PDE5ACDK2MAP4K4CCNA2CCNA1
SCHEMBL13500404 0.84 MAPK14 (0.40) PDE5AMAPK14ALOX5APFEN1KMT2A
SCHEMBL3615790 0.83 GRIN2B (0.41) PDE5AMAP4K4MAPK14ALOX5APFEN1
SCHEMBL4122428 0.83 MPO (0.39) MAP4K4DHFRMPO
SCHEMBL3752916 0.82 PIK3CG (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL4529689 0.81 MPO (0.55) DHFRDCPSMPOMEN1KMT2A
SCHEMBL4524522 0.81 MAPT (0.46) MAP4K4DHFRMPOMEN1KMT2A
SCHEMBL4526331 0.81 MEN1 (0.42) DCPSCNR1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 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 (2 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PDE5A 1649/4885CDK2 85/4885MAP4K4 3289/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK PDE5A 808/4885CDK2 38/4885MAP4K4 1170/4885

“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.