SCHEMBL4096293

SCHEMBL4096293

CCCc1nc(N)nc2ccc(-c3ccco3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 4/20 0.39
ADORA1 P30542 4/20 0.39
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
BLM P54132 2/20 0.37
DHFR P00374 1/20 0.37
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4101084 0.81 MPO (0.47) ADORA2AHPGDMEN1KMT2AALDH1A1
SCHEMBL4102177 0.80 ADORA2A (0.36) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL4528289 0.79 KDM4E (0.42) ADORA2AHPGDMEN1KMT2AALDH1A1
SCHEMBL4107999 0.76 ALDH1A1 (0.36) HPGDMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4103392 0.75 TGFBR1 (0.40) DHFR
SCHEMBL4102869 0.75 HEXA (0.39) DHFRNPC1RAB9A
SCHEMBL4095651 0.74 DHFR (0.43) ADORA2AALDH1A1SMN1; SMN2KDM4EDHFR
SCHEMBL4095679 0.74 ALDH1A1 (0.39) ADORA2AHPGDALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4108111 0.74 ADORA2A (0.56) ADORA2AADORA1DHFRADORA3ADORA2B
SCHEMBL4101904 0.73 CYP1A2 (0.48) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
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 165/4885HPGD 493/4885MEN1 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.