SCHEMBL4512809

SCHEMBL4512809

CCOc1cc(-c2ccc3nc(NC(C)=O)[nH]c(=O)c3n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.44
MAPK14 Q16539 5/20 0.44
ABL1 P00519 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
RET P07949 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
GUSB P08236 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GDA Q9Y2T3 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
TEK Q02763 1/20 0.36
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 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
SCHEMBL4116861 0.86 RORC (0.47) ABL1KDM4EGAAMEN1KMT2A
SCHEMBL3921833 0.84 TGFBR1 (0.48) TGFBR1MAPK14ABL1KDM4EGAA
SCHEMBL4107545 0.82 ADORA3 (0.52) KDM4EGUSBMEN1KMT2ATSHR
SCHEMBL4108669 0.82 TYMS (0.44) TGFBR1MAPK14GUSBMEN1KMT2A
SCHEMBL4114211 0.80 ADORA3 (0.45) TGFBR1MAPK14KDM4EGAAPOLB
SCHEMBL4107454 0.80 KMO (0.47) TGFBR1MAPK14ABL1KDM4EGAA
SCHEMBL4113880 0.77 ABL1 (0.48) TGFBR1MAPK14ABL1KDM4EGAA
SCHEMBL4525328 0.76 FGFR1 (0.54) ABL1KDM4EGAAMEN1KMT2A
SCHEMBL3933091 0.74 ADORA3 (0.56) TGFBR1KDM4EGAAMEN1KMT2A
SCHEMBL4102669 0.69 PIK3CG (0.36) TGFBR1MAPK14POLBADORA3

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-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-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 (3 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 TGFBR1 4683/4885MAPK14 3835/4885ABL1 1437/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TGFBR1 954/4885MAPK14 2770/4885ABL1 2954/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TGFBR1 954/4885MAPK14 2770/4885ABL1 2954/4885

“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.