SCHEMBL4529751

SCHEMBL4529751

CCOc1nc(N)nc2ccc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.44
DHFR P00374 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
PDE4D Q08499 2/20 0.39
MEN1 O00255 2/20 0.39
HEXA P06865 2/20 0.39
HEXB P07686 2/20 0.39
SLC22A1 O15245 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL823714 0.89 MAPT (0.40) MAP4K4DHFRALDH1A1KMT2AMEN1
SCHEMBL4528297 0.88 MAP4K4 (0.49) MAP4K4DHFRALDH1A1KMT2APDE4D
SCHEMBL4513221 0.88 RXFP1 (0.43) MAP4K4DHFRALDH1A1HEXAHEXB
SCHEMBL4122428 0.87 MPO (0.39) MAP4K4DHFRALDH1A1NPC1RAB9A
SCHEMBL4533861 0.87 PIK3CG (0.43) MAP4K4DHFRALDH1A1KMT2AMEN1
SCHEMBL4525197 0.86 ALDH1A1 (0.52) MAP4K4DHFRALDH1A1KMT2AMEN1
SCHEMBL4520304 0.86 MAP4K4 (0.41) MAP4K4DHFRALDH1A1KMT2APDE4D
SCHEMBL4534215 0.86 ALDH1A1 (0.47) DHFRALDH1A1KMT2AMEN1HEXA
SCHEMBL4525204 0.86 MAP4K4 (0.44) MAP4K4DHFRALDH1A1PDE4DTP53
SCHEMBL4526926 0.85 ALDH1A1 (0.43) MAP4K4DHFRALDH1A1KMT2AMEN1

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 claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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

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 MAP4K4 3289/4885DHFR 13/4885ALDH1A1 1010/4885

“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.