SCHEMBL3757974

SCHEMBL3757974

CCOc1nc(N)nc2ncc(-c3cnn(Cc4ccccc4)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MAPK1 P28482 1/20 0.45
NOS1 P29475 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CREBBP Q92793 3/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ATR Q13535 1/20 0.40
DYRK1B Q9Y463 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
FYN P06241 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
SCHEMBL3760900 0.84 MAPK1 (0.43) MAPK1NOS1PIK3CDPIK3CAPIK3CB
SCHEMBL5523485 0.82 NOS1 (0.55) MAPK1NOS1PIK3CAPIK3CBPIK3CG
SCHEMBL3765134 0.82 MAPK1 (0.43) MAPK1NOS1PIK3CAPIK3CGATR
SCHEMBL3760316 0.80 KDM5B (0.38) MAPK1NOS1PIK3CAPIK3CG
SCHEMBL3757193 0.80 CSF1R (0.44) MAPK1NOS1PIK3CG
SCHEMBL3760884 0.80 NOS1 (0.53) MAPK1NOS1PIK3CAPIK3CBPIK3CG
SCHEMBL3757137 0.78 IKBKE (0.46) NOS1PIK3CGATR
SCHEMBL3762264 0.77 NOS1 (0.71) ADORA2AADORA1MAPK1NOS1L3MBTL1
SCHEMBL3766641 0.76 NOS1 (0.46) MAPK1NOS1PIK3CAPIK3CBPIK3CG
SCHEMBL3766677 0.76 NOS1 (0.53) MAPK1NOS1PIK3CG

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 ADORA2A 1898/4885ADORA1 1737/4885MAPK1 3866/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 ADORA2A 1898/4885ADORA1 1737/4885MAPK1 3866/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 ADORA2A 1898/4885ADORA1 1737/4885MAPK1 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.