SCHEMBL3760070

SCHEMBL3760070

Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.61
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 5/20 0.53
GAA P10253 3/20 0.53
MEN1 O00255 2/20 0.53
NPY5R Q15761 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 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
SCHEMBL3760949 0.88 NOS1 (0.69) NOS1USP2MAPK1PIK3R1PIK3CA
SCHEMBL3765094 0.84 NOS1 (0.56) NOS1MAPTUSP2KMT2AGAA
SCHEMBL3760218 0.84 NOS1 (0.71) NOS1PIK3CAMTOR
SCHEMBL3760392 0.83 NOS1 (0.72) NOS1PIK3R1PIK3CAMTOR
SCHEMBL3768161 0.82 NOS1 (0.74) NOS1MAPK1PIK3CAMTOR
SCHEMBL4458138 0.82 NOS1 (0.68) NOS1MAPTKMT2AMEN1ALDH1A1
SCHEMBL3755510 0.80 NOS1 (0.70) NOS1MAPK1PIK3CAMTOR
SCHEMBL4450316 0.79 NOS1 (0.82) NOS1PIK3R1PIK3CAMTOR
SCHEMBL3765844 0.79 NOS1 (0.82) NOS1MAPTKMT2AGAAMEN1
SCHEMBL3770209 0.78 NOS1 (0.71) NOS1PIK3CAMTOR

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 2154/4885MAPT 4683/4885USP2 4237/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPT 4683/4885USP2 4237/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MAPT 4683/4885USP2 4237/4885

“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.