SCHEMBL3761097

SCHEMBL3761097

CCOc1nc(N)nc2ncc(-c3ccc(C#N)s3)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.41
PIK3CA P42336 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
NOS1 P29475 10/20 0.39
KDM1A O60341 1/20 0.36
PIK3CG P48736 3/20 0.33
INPPL1 O15357 1/20 0.32
RPS27 P42677 1/20 0.31
PIK3CB P42338 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL3768033 0.84 NOS1 (0.41) PIK3CANOS1PIK3CGPIK3CBHDAC6
SCHEMBL4521264 0.83 MAPK8 (0.37) MAPK8PIK3CAMAPK1MAPK9MAPK10
SCHEMBL3756730 0.82 NOS1 (0.39) PIK3CANOS1PIK3CGPIK3CBHDAC6
SCHEMBL3760189 0.82 NOS1 (0.40) PIK3CANOS1PIK3CGPIK3CBHDAC6
SCHEMBL3760562 0.81 NOS1 (0.44) PIK3CAMAPK1NOS1PIK3CGPIK3CB
SCHEMBL3770133 0.81 NOS1 (0.38) PIK3CANOS1PIK3CGPIK3CBHDAC6
SCHEMBL3765483 0.80 NOS1 (0.37) NOS1PIK3CG
SCHEMBL3766557 0.79 NOS1 (0.47) NOS1PIK3CG
SCHEMBL4448719 0.78 NOS1 (0.52) PIK3CAMAPK10NOS1PIK3CGPIK3CB
SCHEMBL3765377 0.77 GAA (0.45) MAPK8NOS1RPS27

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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
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 MAPK8 3684/4885PIK3CA 2351/4885MAPK1 3866/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 MAPK8 3684/4885PIK3CA 2351/4885MAPK1 3866/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 MAPK8 3684/4885PIK3CA 2351/4885MAPK1 3866/4885

“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.