SCHEMBL4532151

SCHEMBL4532151

CCOc1nc(N)nc2ccc(-c3cccc(C(F)(F)F)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.44
KDM1A O60341 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 1/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 1/20 0.41
XDH P47989 1/20 0.40
CTSS P25774 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
KMO O15229 1/20 0.40
CTSK P43235 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4522359 0.90 MPO (0.37) MAP4K4KDM1ATLR8TLR7PIK3CA
SCHEMBL4517256 0.86 HEXA (0.42) TLR8TLR7KDM4EALDH1A1
SCHEMBL4122691 0.85 MAP4K4 (0.55) MAP4K4TLR8TLR7ADORA2AKDM4E
SCHEMBL823753 0.85 MAP4K4 (0.48) MAP4K4CYP3A4KDM4EALDH1A1
SCHEMBL4536473 0.84 MAP4K4 (0.49) MAP4K4CYP3A4KDM4EALDH1A1
SCHEMBL3759542 0.83 PIK3CG (0.46) TLR8PIK3CAXDHCTSSCYP1A2
SCHEMBL4534848 0.83 MAP4K4 (0.65) MAP4K4TLR8ALDH1A1
SCHEMBL4525197 0.82 ALDH1A1 (0.52) MAP4K4TLR8ADORA2AADORA1KDM4E
SCHEMBL4527421 0.81 MAPT (0.40) TLR8TLR7CYP1A2CYP3A4CYP2D6
SCHEMBL4536715 0.81 TRPV3 (0.38) TLR8TLR7

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 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-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
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 3289/4885KDM1A 3916/4885TLR8 1791/4885

“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.