SCHEMBL3755665

SCHEMBL3755665

Cc1ccc(C=O)c(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.58
PIK3CA P42336 4/20 0.38
MTOR P42345 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PRKDC P78527 1/20 0.38
AR P10275 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LRRK2 Q5S007 1/20 0.37
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL3760395 0.88 NOS1 (0.68) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3757175 0.87 NOS1 (0.63) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3763065 0.86 NOS1 (0.68) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3765626 0.85 NOS1 (0.63) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3757011 0.83 NOS1 (0.64) NOS1PIK3CAMTORPIK3CGLRRK2
SCHEMBL3761838 0.80 NOS1 (0.64) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3755512 0.79 NOS1 (0.67) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3758206 0.79 NOS1 (0.63) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3759363 0.79 NOS1 (0.72) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL3765351 0.79 NOS1 (0.60) NOS1PIK3CAMTORPIK3CGALDH1A1

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 2154/4885PIK3CA 2351/4885MTOR 3424/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885MTOR 3424/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885MTOR 3424/4885

“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.