SCHEMBL3760413

SCHEMBL3760413

CCOc1nc(N)nc2ncc(-c3ccc(-c4cccs4)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.45
NOS1 P29475 13/20 0.45
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
DHFR P00374 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4448719 0.91 NOS1 (0.52) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL6064269 0.89 NOS1 (0.43) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3760884 0.83 NOS1 (0.53) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3755599 0.83 NOS1 (0.52) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL5523485 0.83 NOS1 (0.55) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3755577 0.82 NOS1 (0.61) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4456209 0.82 NOS1 (0.57) PIK3CGNOS1KDM4ENPC1MAPT
SCHEMBL3759413 0.82 NOS1 (0.48) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4408579 0.81 NOS1 (0.50) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4452143 0.81 NOS1 (0.50) PIK3CGNOS1PIK3CAPIK3CBHDAC6

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 PIK3CG 2660/4885NOS1 2154/4885PIK3CA 2351/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885PIK3CA 2351/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PIK3CG 2660/4885NOS1 2154/4885PIK3CA 2351/4885

“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.