SCHEMBL4107451

SCHEMBL4107451

COc1ccc(-c2ccc3nc(Cl)nc(Cl)c3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
GAK O14976 2/20 0.49
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
ACACA Q13085 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3931265 0.88 KDM4E (0.55) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3933332 0.82 KDM4E (0.51) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL182859 0.78 L3MBTL1 (0.55) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3921216 0.75 MAP4K4 (0.56) KDM4EALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2175274 0.73 MEN1 (0.72) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL1792683 0.73 GAK (0.40) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL4108775 0.73 MAP4K4 (0.46) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29277000 0.72 KDM4E (0.68) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3922093 0.72 TRPV1 (0.49) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL12408680 0.72 MEN1 (0.61) MEN1KMT2AL3MBTL1KDM4EALDH1A1

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 5 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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (4 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 4257/4885L3MBTL1 4654/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MEN1 3783/4885KMT2A 4610/4885L3MBTL1 3846/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MEN1 3783/4885KMT2A 4610/4885L3MBTL1 3846/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MEN1 3783/4885KMT2A 4610/4885L3MBTL1 3846/4885

“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.