SCHEMBL4526331

SCHEMBL4526331

CC(=O)Nc1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR4 Q13639 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
XDH P47989 1/20 0.39
CNR1 P21554 1/20 0.39
AKT1 P31749 2/20 0.38

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
SCHEMBL4522465 0.86 MEN1 (0.46) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL4521670 0.84 MEN1 (0.44) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL4522294 0.83 PIK3CA (0.44) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL3337337 0.83 TRIM58 (0.48) MEN1KMT2AKDM4EHTR2AKCNH2
SCHEMBL3610322 0.81 PDE5A (0.40) MEN1KMT2ACNR1DCPS
SCHEMBL4521804 0.80 KMT2A (0.43) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL823805 0.80 RAB9A (0.45) MEN1KMT2AALDH1A1MAPTPDE4A
Morpholine SCHEMBL4526766 0.79 MTOR (0.40) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL4521666 0.78 KMT2A (0.42) MEN1KMT2AKDM4EPRNPPOLB
SCHEMBL4522286 0.78 KMT2A (0.40) MEN1KMT2AKDM4EPRNPPOLB

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 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
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 MEN1 4755/4885KMT2A 4257/4885KDM4E 3685/4885

“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.