SCHEMBL4108170

SCHEMBL4108170

Nc1nc(-c2ccccc2)c2nc(-c3ccc(OCc4ccccc4)nc3)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NUDT1 P36639 2/20 0.39
DCPS Q96C86 1/20 0.39
ADORA2A P29274 3/20 0.38
GAA P10253 1/20 0.38
PRMT5 O14744 1/20 0.37
ATM Q13315 1/20 0.37
ADORA1 P30542 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MGMT P16455 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 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
SCHEMBL4102317 0.86 LOXL2 (0.41) LOXL2PIK3CAMTORNUDT1DCPS
SCHEMBL4107625 0.85 ATR (0.48) PIK3CAMTORNUDT1ADORA2AADORA1
Dimethylamine SCHEMBL4101782 0.83 ATM (0.41) PIK3CAMTORNUDT1ADORA2AGAA
SCHEMBL4112530 0.83 PIK3CA (0.40) LOXL2PIK3CAMTORNUDT1DCPS
SCHEMBL4101779 0.82 ATM (0.58) MTORNUDT1ATM
SCHEMBL4112280 0.81 PTGS1 (0.51) PTGS1PTGS2MAPTNPSR1MAP4K4
SCHEMBL4106881 0.81 ADORA2A (0.45) NUDT1ADORA2AADORA1MAP4K4
SCHEMBL4107032 0.80 ADORA2A (0.44) NUDT1ADORA2AADORA1MAP4K4
SCHEMBL4107496 0.80 DCPS (0.48) PTGS1PTGS2MAPTNPSR1NUDT1
SCHEMBL4095769 0.79 ADORA1 (0.48) MAPTDCPSADORA2AGAAADORA1

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 4 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

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 LOXL2 1926/4885PIK3CA 588/4885MTOR 3769/4885

“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.