SCHEMBL3933091

SCHEMBL3933091

CC(=O)Nc1nc2ccc(-c3ccc4c(c3)OCO4)nc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.56
ADORA1 P30542 6/20 0.53
ADORA2A P29274 2/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TGFBR1 P36897 1/20 0.50
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ADORA2B P29275 1/20 0.43
FYN P06241 2/20 0.42

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
SCHEMBL4113880 0.81 ABL1 (0.48) TGFBR1MAPTALDH1A1LMNAKDM4E
SCHEMBL4114211 0.79 ADORA3 (0.45) ADORA3ADORA2ANPC1RAB9ATGFBR1
SCHEMBL3931274 0.79 DHFR (0.53) ADORA3ADORA1ADORA2ANPC1RAB9A
SCHEMBL3921833 0.79 TGFBR1 (0.48) TGFBR1MAPTALDH1A1LMNAKDM4E
SCHEMBL4107545 0.79 ADORA3 (0.52) ADORA3ADORA2ANPC1RAB9AMAPT
SCHEMBL4525328 0.79 FGFR1 (0.54) ADORA3ADORA1ADORA2ANPC1RAB9A
SCHEMBL4107454 0.77 KMO (0.47) ADORA3TGFBR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4512809 0.74 TGFBR1 (0.44) ADORA3TGFBR1SMN1; SMN2PARP1KDM4E
SCHEMBL4116861 0.74 RORC (0.47) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL3921447 0.73 ADORA3 (0.56) ADORA3ADORA1ADORA2ANPC1RAB9A

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
WO-2009003669-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-01-08 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US 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 (4 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO ADORA3 216/4885ADORA1 501/4885ADORA2A 252/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADORA3 68/4885ADORA1 286/4885ADORA2A 159/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADORA3 68/4885ADORA1 286/4885ADORA2A 159/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADORA3 68/4885ADORA1 286/4885ADORA2A 159/4885

“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.