SCHEMBL4100670

SCHEMBL4100670

COc1ccc(OC)c(-c2nc(N)nc3ccc(Cl)nc23)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.50
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
CASP6 P55212 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL4106741 0.90 ADORA2A (0.49) DHFRHSP90AA1HSP90AB1MAPK1MEN1
SCHEMBL4095473 0.80 ADORA2A (0.56) DHFRKMT2AADORA2A
SCHEMBL4108258 0.80 DHFR (0.46) DHFRL3MBTL1KDM4EMAPK1MEN1
SCHEMBL4096163 0.79 DHFR (0.50) DHFRL3MBTL1KDM4EMAPK1RECQL
SCHEMBL4115567 0.79 ADORA2A (0.47) DHFRHSP90AA1HSP90AB1ALDH1A1POLB
SCHEMBL4102189 0.77 ADORA2A (0.49) DHFRKDM4EPOLBADORA2A
SCHEMBL3942089 0.73 HSP90AA1 (0.76) DHFRHSP90AA1HSP90AB1MEN1POLB
SCHEMBL4102481 0.73 HSP90AB1 (0.40) DHFRHSP90AB1MAPTADORA2A
SCHEMBL4107761 0.71 HSP90AB1 (0.44) DHFRHSP90AB1KDM4ERECQLALDH1A1
SCHEMBL4106705 0.71 HSP90AB1 (0.44) DHFRHSP90AB1KDM4ERECQLALDH1A1

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 DHFR 145/4885HSP90AA1 4742/4885HSP90AB1 4606/4885

“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.