SCHEMBL4524926

SCHEMBL4524926

CC(=O)Nc1nc(NC2CCCCC2)c2nc(Cl)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SYK P43405 2/20 0.41
MELK Q14680 1/20 0.39
MERTK Q12866 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CCR4 P51679 1/20 0.38
EGFR P00533 1/20 0.38
MAPK3 P27361 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 3/20 0.36
NPY5R Q15761 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA1 P30542 2/20 0.36
PI4KB Q9UBF8 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 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
SCHEMBL4516816 0.81 NPR1 (0.45) CNR1CNR2SYKMERTKADORA3
SCHEMBL3607933 0.78 HDAC3 (0.39) CNR1ALDH1A1LMNAHPGDCYP2D6
SCHEMBL4367755 0.77 CNR1 (0.55) CNR1CNR2CCR4NPY5RAURKA
SCHEMBL4360344 0.77 CCR4 (0.48) CNR1CNR2SYKMERTKALDH1A1
SCHEMBL4096047 0.77 POLB (0.36) CNR1CNR2MELKALDH1A1LMNA
SCHEMBL4516927 0.76 CHUK (0.41) ADORA3ADORA2AMAP4K4APP
SCHEMBL4359507 0.76 CNR1 (0.56) CNR1CNR2MERTKNPY5RAURKA
SCHEMBL823647 0.76 L3MBTL1 (0.41) ALDH1A1HPGDADORA3CYP2C9ADORA1
SCHEMBL4355758 0.75 CNR1 (0.49) CNR1CNR2SYKMERTKALDH1A1
SCHEMBL4527848 0.74 CYP1A2 (0.41) ALDH1A1LMNANPY5RJAK2PIM1

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 CNR1 1371/4885CNR2 1009/4885SYK 3550/4885

“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.