SCHEMBL4534902

SCHEMBL4534902

CCOc1nc(N)nc2ccc(-c3cc(C(F)(F)F)ccc3Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KDM1A O60341 1/20 0.40
PDE2A O00408 8/20 0.39
JAK2 O60674 1/20 0.37
MPO P05164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL4527421 0.93 MAPT (0.40) MPOL3MBTL1GAAMAPTLMNA
SCHEMBL4536715 0.86 TRPV3 (0.38) MPOL3MBTL1MAPTLMNAATM
SCHEMBL11911418 0.85 KDM4E (0.46) L3MBTL1GAAMAPTKDM4ETDP1
SCHEMBL4517256 0.82 HEXA (0.42) MPOKDM4ETLR8TLR7
SCHEMBL4522359 0.81 MPO (0.37) CTSSCTSKKDM1AMPOL3MBTL1
SCHEMBL4525998 0.81 CTSS (0.41) CTSSCTSK
SCHEMBL4522776 0.81 L3MBTL1 (0.54) MPOL3MBTL1GAAMAPTKDM4E
SCHEMBL4532151 0.81 MAP4K4 (0.44) CTSSCTSKKDM1AKDM4ETLR8
SCHEMBL4519931 0.80 MAPT (0.42) PDE2AMPOL3MBTL1GAAMAPT
SCHEMBL4524543 0.80 MAPT (0.55) L3MBTL1GAAMAPTLMNAKDM4E

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 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

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 CTSS 3018/4885CTSK 2816/4885KDM1A 3916/4885

“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.