SCHEMBL4101007

SCHEMBL4101007

Cc1cccnc1-c1ccc2nc(N)nc(-c3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.43
NUDT1 P36639 1/20 0.43
CYP2A6 P11509 1/20 0.42
TGFBR1 P36897 3/20 0.42
ADORA1 P30542 5/20 0.41
MAP4K4 O95819 1/20 0.38
PRMT5 O14744 1/20 0.38
TOP1 P11387 2/20 0.37
METAP2 P50579 1/20 0.37
DHFR P00374 1/20 0.36
SQOR Q9Y6N5 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
SCHEMBL4103467 0.81 MPO (0.41) ADORA2ATGFBR1ADORA1PRMT5DHFR
SCHEMBL4097814 0.79 ATR (0.47) ADORA2ANUDT1TGFBR1ADORA1MAP4K4
SCHEMBL4101671 0.78 CHRNA7 (0.44) ADORA2ANUDT1ADORA1TOP1DHFR
SCHEMBL4106845 0.78 ADORA2A (0.49) ADORA2ANUDT1CYP2A6ADORA1MAP4K4
SCHEMBL4101502 0.78 ADORA2A (0.46) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4096177 0.78 ADORA2A (0.58) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4097472 0.78 ADORA2A (0.53) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4103392 0.78 TGFBR1 (0.40) CYP2A6TGFBR1PRMT5METAP2DHFR
SCHEMBL1408927 0.77 ADORA2A (0.61) ADORA2ANUDT1ADORA1PRMT5TOP1
SCHEMBL4110099 0.77 ADORA2A (0.52) ADORA2ANUDT1ADORA1MAP4K4DHFR

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 ADORA2A 165/4885NUDT1 8/4885CYP2A6 134/4885

“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.