SCHEMBL4525328

SCHEMBL4525328

CC(=O)Nc1nc2ccc(-c3ccccc3)nc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.54
FGFR2 P21802 2/20 0.54
LMNA P02545 3/20 0.51
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
ALOX15 P16050 1/20 0.48
ADORA3 P0DMS8 3/20 0.46
ADORA1 P30542 3/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 2/20 0.43
ADORA2B P29275 1/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL4114211 0.88 ADORA3 (0.45) FGFR1FGFR2LMNAALDH1A1POLB
SCHEMBL4113880 0.82 ABL1 (0.48) FGFR1FGFR2LMNAALDH1A1POLB
SCHEMBL3921833 0.80 TGFBR1 (0.48) FGFR1FGFR2LMNAALDH1A1POLB
SCHEMBL4107545 0.80 ADORA3 (0.52) FGFR1FGFR2ALDH1A1POLBALOX15
SCHEMBL3933091 0.79 ADORA3 (0.56) LMNAALDH1A1ADORA3ADORA1KDM4E
SCHEMBL4107454 0.79 KMO (0.47) FGFR1FGFR2LMNAALDH1A1POLB
SCHEMBL3605662 0.79 KDM4E (0.49) FGFR1FGFR2LMNAALDH1A1POLB
SCHEMBL4512809 0.76 TGFBR1 (0.44) POLBADORA3KDM4EGAAMEN1
SCHEMBL4116861 0.76 RORC (0.47) LMNAPOLBKDM4EGAARAB9A
SCHEMBL4526152 0.74 NOS1 (0.61) FGFR1FGFR2KDM4ERAB9AXDH

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-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO FGFR1 3328/4885FGFR2 2932/4885LMNA 2064/4885

“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.