SCHEMBL3757270

SCHEMBL3757270

CNC(=O)c1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.67
MTOR P42345 6/20 0.49
PIK3CA P42336 5/20 0.47
PIK3R1 P27986 2/20 0.47
PIK3CG P48736 2/20 0.46
ADK P55263 3/20 0.44
ATR Q13535 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42
PIK3CD O00329 1/20 0.42

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
SCHEMBL3769685 0.88 NOS1 (0.73) NOS1MTORPIK3CAPIK3CGADK
SCHEMBL3765293 0.88 NOS1 (0.72) NOS1MTORPIK3CAPIK3CGADK
SCHEMBL3766169 0.88 NOS1 (0.64) NOS1MTORPIK3CAADKATR
SCHEMBL3762927 0.86 NOS1 (0.60) NOS1PIK3CAADKATRHDAC6
SCHEMBL3758075 0.86 NOS1 (0.70) NOS1MTORADKATR
SCHEMBL4455763 0.85 NOS1 (0.61) NOS1MTORPIK3CAPIK3CGADK
SCHEMBL3757054 0.85 NOS1 (0.78) NOS1MTORPIK3CAPIK3CGADK
SCHEMBL4461486 0.85 NOS1 (0.71) NOS1MTORPIK3CAPIK3R1ATR
SCHEMBL3768161 0.85 NOS1 (0.74) NOS1MTORPIK3CAPIK3CGADK
SCHEMBL3769863 0.84 NOS1 (0.77) NOS1MTORPIK3CAPIK3CGADK

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