SCHEMBL3757090

SCHEMBL3757090

Nc1nc(N2CCOCC2)c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cnc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.59
PIK3CA P42336 7/20 0.42
MTOR P42345 6/20 0.42
PIK3R1 P27986 5/20 0.42
RICTOR Q6R327 4/20 0.42
RPTOR Q8N122 4/20 0.42
MAPKAP1 Q9BPZ7 4/20 0.42
MLST8 Q9BVC4 4/20 0.42
PRKDC P78527 3/20 0.42
PIK3CD O00329 2/20 0.42
PIK3C2B O00750 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3C3 Q8NEB9 2/20 0.42
PI4KB Q9UBF8 2/20 0.42
AKR1C3 P42330 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL3766398 0.89 NOS1 (0.58) NOS1PIK3CAMTORPIK3R1PRKDC
SCHEMBL3760937 0.87 NOS1 (0.68) NOS1PIK3CAMTORPIK3R1RICTOR
SCHEMBL3755502 0.85 NOS1 (0.74) NOS1PIK3CAMTORPIK3CDPIK3CG
SCHEMBL4774972 0.84 NOS1 (0.45) NOS1PIK3CAPIK3R1ALOX5APFEN1
SCHEMBL3755637 0.83 NOS1 (0.72) NOS1PIK3CAMTORPIK3CDPIK3CB
SCHEMBL3765478 0.83 NOS1 (0.67) NOS1PIK3CAMTORPIK3CB
SCHEMBL3758139 0.80 NOS1 (0.63) NOS1PIK3CAMTORPRKDCPIK3CD
SCHEMBL3758421 0.79 NOS1 (0.64) NOS1PIK3CAMTORPRKDCPIK3CD
SCHEMBL3759297 0.78 NOS1 (0.61) NOS1PIK3CAMTORPIK3R1RPTOR
SCHEMBL3764131 0.78 NOS1 (0.61) NOS1PIK3CAMTORPRKDCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.