SCHEMBL4528583

SCHEMBL4528583

Nc1nc(NC2CCCCC2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.49
PDE5A O76074 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC1 Q13547 3/20 0.41
HRH4 Q9H3N8 1/20 0.40
MERTK Q12866 1/20 0.39
ACP1 P24666 1/20 0.38
HDAC2 Q92769 3/20 0.38
TP53 P04637 1/20 0.38
CHUK O15111 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
ALOX5 P09917 1/20 0.36
KCNH2 Q12809 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
SCHEMBL3930763 0.88 HRH4 (0.50) MAP4K4HDAC1HRH4TP53KCNH2
SCHEMBL4513156 0.82 SYK (0.44) MAP4K4TP53
SCHEMBL4358023 0.80 GABBR2 (0.47) MAP4K4PDE5AHRH4MERTKACP1
SCHEMBL4516816 0.79 NPR1 (0.45) MAP4K4PDE5AADORA3ADORA2AADORA1
SCHEMBL4106778 0.79 PDE5A (0.44) MAP4K4PDE5AADORA2AHDAC1HDAC2
SCHEMBL5115629 0.79 MAP4K4 (0.49) MAP4K4ADORA3ADORA2AADORA1HDAC1
SCHEMBL4353731 0.78 GABBR2 (0.48) MAP4K4PDE5AHRH4MERTKACP1
SCHEMBL3934181 0.78 DNMT3A (0.49) HDAC1HDAC2
SCHEMBL4112242 0.78 PDE5A (0.42) MAP4K4PDE5AADORA2AADORA1HDAC1
SCHEMBL4525416 0.78 MAP4K4 (0.50) MAP4K4ADORA2AHDAC1HDAC2TLR8

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 2 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-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 3289/4885PDE5A 1649/4885ADORA3 216/4885

“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.