SCHEMBL4105702

SCHEMBL4105702

Nc1nc(Cc2ccccc2)c2nc(-c3ccc(C=O)o3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MPO P05164 1/20 0.41
DHFR P00374 8/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL4102671 0.84 ADORA2A (0.45) KDM4EALDH1A1MAPTPKMMPO
SCHEMBL4107999 0.83 ALDH1A1 (0.36) KDM4EALDH1A1MEN1MAPTPKM
SCHEMBL4097715 0.81 CYP2E1 (0.42) KDM4EALDH1A1MEN1MAPTPKM
SCHEMBL4110107 0.79 MPO (0.44) RAB9AMPODHFRTLR8TLR7
SCHEMBL4101084 0.79 MPO (0.47) KDM4EALDH1A1MEN1MAPTRAB9A
SCHEMBL4106974 0.78 MPO (0.43) MPODHFRCYP3A4CYP2D6CYP2C9
SCHEMBL4110266 0.76 MPO (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL4113790 0.75 MPO (0.48) MPODHFRCYP3A4CYP2D6CYP2C9
SCHEMBL4102963 0.75 MAP4K4 (0.44) MPODHFRCYP3A4CYP2D6CYP2C9
SCHEMBL4108007 0.74 MPO (0.40) KDM4EALDH1A1MEN1MAPTRAB9A

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 KDM4E 2414/4885ALDH1A1 1721/4885MEN1 4569/4885

“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.