SCHEMBL3609485

SCHEMBL3609485

COc1ccc(-c2ccc3nc(N)nc(OC(C)OC(C)C)c3n2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
DHFR P00374 1/20 0.41
GAK O14976 3/20 0.40
NOS1 P29475 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3924925 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3924309 0.87 KDM4E (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3603742 0.82 NOS1 (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3612784 0.82 NOS1 (0.42) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3603747 0.81 NOS1 (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3921216 0.80 MAP4K4 (0.56) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3613666 0.79 PDE4A (0.45) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4523926 0.79 NOS1 (0.44) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3612640 0.78 NOS1 (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4114382 0.77 KDM4E (0.45) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 US claimed

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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK KDM4E 2887/4885NPC1 2663/4885ALDH1A1 1288/4885

“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.