SCHEMBL3762264

SCHEMBL3762264

Nc1nc(N2CCOCC2)c2nc(-c3cnn(Cc4ccccc4)c3)cnc2n1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.71
MAPK1 P28482 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ADK P55263 2/20 0.41
MGMT P16455 1/20 0.41
AKT1 P31749 1/20 0.41
PIK3CA P42336 1/20 0.41
CDC7 O00311 1/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5317835 0.84 NOS1 (1.00) NOS1MAPK1ADKPIK3CAALDH1A1
SCHEMBL3755618 0.83 NOS1 (0.62) NOS1MAPK1ADKPIK3CA
SCHEMBL3763426 0.83 NOS1 (0.61) NOS1MAPK1ADKPIK3CA
Water SCHEMBL6491267 0.83 NOS1 (0.98) NOS1MAPK1ADORA2AADKPIK3CA
SCHEMBL3765188 0.82 NOS1 (0.60) NOS1MAPK1ADKPIK3CA
SCHEMBL3762228 0.82 NOS1 (0.95) NOS1MAPK1ADKPIK3CAALDH1A1
SCHEMBL3760285 0.81 NOS1 (0.59) NOS1MAPK1ADKPIK3CA
SCHEMBL3765490 0.81 NOS1 (0.70) NOS1ADKPIK3CA
SCHEMBL3761331 0.80 NOS1 (0.72) NOS1ADKPIK3CA
SCHEMBL4451350 0.80 NOS1 (0.76) NOS1MAPK1ADKMGMTALDH1A1

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 2154/4885MAPK1 3866/4885ADORA2A 1898/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPK1 3866/4885ADORA2A 1898/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPK1 3866/4885ADORA2A 1898/4885

“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.