SCHEMBL4112581

SCHEMBL4112581

Nc1nc(-c2ccccc2)c2nc(-c3cccc(NC(=O)CCC=O)c3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MMP2 P08253 4/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC3 O15379 2/20 0.40
NCOR2 Q9Y618 1/20 0.40
MMP13 P45452 2/20 0.40
MMP3 P08254 1/20 0.40
RAB9A P51151 2/20 0.39
JAK3 P52333 2/20 0.39

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
SCHEMBL4101086 0.91 ALDH1A1 (0.54) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4103558 0.90 MEN1 (0.39) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4096381 0.87 ALDH1A1 (0.46) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4107282 0.84 KDM4E (0.42) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4106891 0.81 PKM (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4105938 0.80 MAP4K4 (0.45) ALDH1A1LMNAMAP4K4GAA
SCHEMBL4107714 0.78 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4102648 0.76 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4108376 0.76 GHSR (0.44) ALDH1A1MMP2MMP9MMP8KDM4E
SCHEMBL4107050 0.75 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTLMNAMEN1

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
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 ALDH1A1 1721/4885MMP2 4577/4885MMP9 4062/4885

“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.