SCHEMBL3765094

SCHEMBL3765094

Cc1ccc(S(=O)(=O)Nc2ccccc2-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.56
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
USP2 O75604 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOD2 Q9HC29 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CD O00329 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 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
SCHEMBL3761158 0.89 NOS1 (0.63) NOS1GAALMNAPIK3CAPIK3CD
SCHEMBL3760070 0.84 NOS1 (0.61) NOS1MEN1GAAKMT2AALDH1A1
SCHEMBL3760720 0.80 NOS1 (0.64) NOS1GAAPIK3CAPIK3CDPIK3CB
SCHEMBL3759363 0.80 NOS1 (0.72) NOS1GAALMNAALDH1A1MAPT
SCHEMBL3760387 0.78 NOS1 (0.67) NOS1PIK3CAPIK3CDCA12CA2
SCHEMBL3757246 0.78 LMNA (0.47) MEN1GAAKMT2ALMNAALDH1A1
SCHEMBL4458138 0.77 NOS1 (0.68) NOS1MEN1KMT2ALMNAALDH1A1
SCHEMBL4460950 0.77 NOS1 (0.57) NOS1MAPTPIK3CAPIK3CD
SCHEMBL4557312 0.77 NOS1 (0.62) NOS1MEN1KMT2ALMNAMAPT
SCHEMBL3760913 0.77 NOS1 (0.73) NOS1MAPTPOLBPIK3CAPIK3CD

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 2154/4885MEN1 4389/4885GAA 2285/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885GAA 2285/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MEN1 4389/4885GAA 2285/4885

“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.