SCHEMBL4560023

SCHEMBL4560023

Nc1nc(N2CCN(C(=O)COc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)cnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.55
PI4KB Q9UBF8 2/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 4/20 0.47
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ENPP2 Q13822 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
HPGD P15428 1/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL5475989 0.86 NOS1 (0.65) NOS1PI4KBKMT2AMEN1LMNA
SCHEMBL5461693 0.82 NOS1 (0.56) NOS1
SCHEMBL4109047 0.82 PI4KB (0.55) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL652412 0.81 PI4KB (0.65) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL654187 0.81 PI4KB (0.48) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL4116412 0.79 MAPT (0.48) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL4108786 0.78 PI4KB (0.51) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL4113637 0.78 PI4KB (0.63) PI4KBKMT2AMEN1LMNAPOLB
SCHEMBL5467586 0.78 NOS1 (0.70) NOS1PI4KBKDM4EALDH1A1
SCHEMBL4817181 0.78 NOS1 (0.43) NOS1KMT2AMEN1MAPT

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 NOS1 4251/4885PI4KB 2356/4885KMT2A 4257/4885

“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.