SCHEMBL5122839

SCHEMBL5122839

CC(C)(O)CNc1nc(NCc2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.47
CDK2 P24941 3/20 0.47
CDK5 Q00535 2/20 0.47
MAPT P10636 3/20 0.42
TP53 P04637 3/20 0.42
ADORA2A P29274 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NTRK1 P04629 4/20 0.39
KCNH3 Q9ULD8 1/20 0.38
GRK6 P43250 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL5115971 0.89 MAPT (0.46) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5121413 0.86 MAP4K4 (0.47) CCNE1CDK2CDK5MAPTTP53
SCHEMBL15698681 0.84 TP53 (0.42) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5122195 0.82 CTNNB1 (0.42) PTGS2PTGS1CTNNB1TCF7L2
SCHEMBL5112273 0.82 LRRK2 (0.41) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5120754 0.82 LRRK2 (0.41) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5108981 0.82 CYP1A2 (0.43) MAPTTP53TDP1PTGS2PTGS1
SCHEMBL5109456 0.81 IP6K1 (0.45) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL5122262 0.81 TP53 (0.38) MAPTTP53ADORA2ATDP1PTGS2
SCHEMBL14140290 0.81 SYK (0.36) CCNE1CDK2CDK5MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-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 (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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP CCNE1 176/4885CDK2 27/4885CDK5 428/4885

“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.