SCHEMBL4526296

SCHEMBL4526296

CCOc1nc(N)nc2ccc(-c3ccc(OC)c(F)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
NOS1 P29475 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MET P08581 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 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
SCHEMBL4526538 0.89 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4526798 0.89 MAP4K4 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9APDGFRB
SCHEMBL4412818 0.87 MAP4K4 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4513145 0.85 MAP4K4 (0.42) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL4526022 0.85 DHFR (0.40) ALDH1A1NPC1RAB9AMAP4K4
SCHEMBL3924335 0.84 NOS1 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3756936 0.83 NOS1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4525204 0.83 MAP4K4 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4534037 0.82 AMY1A (0.38)
SCHEMBL4122428 0.82 MPO (0.39) ALDH1A1NPC1RAB9ANOS1KDM4E

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 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
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 ALDH1A1 1010/4885SMN1; SMN2 2873/4885NPC1 1302/4885

“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.