SCHEMBL3763446

SCHEMBL3763446

Nc1nc(N2CCOCC2)c2nc(-c3ccc(OCc4ccccc4)nc3)cnc2n1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.70
MGMT P16455 1/20 0.51
CYP11B2 P19099 1/20 0.45
ADK P55263 6/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRMT5 O14744 2/20 0.42
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4451350 0.89 NOS1 (0.76) NOS1MGMTCYP11B2ADKALDH1A1
SCHEMBL3765187 0.85 NOS1 (0.67) NOS1MGMTCYP11B2ALDH1A1ALOX15
SCHEMBL3760810 0.84 NOS1 (0.77) NOS1ADKPIK3CA
SCHEMBL3764114 0.83 NOS1 (0.66) NOS1MGMTALDH1A1AKT1PIK3CA
SCHEMBL3767236 0.83 NOS1 (0.66) NOS1MGMTCYP11B2ALDH1A1ALOX15
SCHEMBL3762228 0.83 NOS1 (0.95) NOS1ADKALDH1A1MAPK1PIK3CA
SCHEMBL5317835 0.83 NOS1 (1.00) NOS1ADKALDH1A1MAPK1HSD17B10
Dimethylamine SCHEMBL3769858 0.83 NOS1 (0.63) NOS1ADKPIK3CA
Water SCHEMBL6491267 0.82 NOS1 (0.98) NOS1ADKALDH1A1MAPK1HSD17B10
SCHEMBL3769854 0.82 NOS1 (0.62) NOS1ADKALDH1A1HSD17B10PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US claimed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US claimed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 US disclosed
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 US disclosed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US disclosed
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (3 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-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MGMT 1021/4885CYP11B2 692/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MGMT 1021/4885CYP11B2 692/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MGMT 1021/4885CYP11B2 692/4885

“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.