SCHEMBL3760104

SCHEMBL3760104

CCN(C(=O)c1cccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c1)N(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.60
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MTOR P42345 5/20 0.41
PIK3CA P42336 4/20 0.41
HRH4 Q9H3N8 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
ATR Q13535 3/20 0.39
ATRIP Q8WXE1 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL3762923 0.91 NOS1 (0.61) NOS1MTORPIK3CAPIK3CGATR
SCHEMBL3765144 0.91 NOS1 (0.63) NOS1STK4STK3LRRK2MTOR
SCHEMBL3766529 0.90 NOS1 (0.67) NOS1STK4STK3LRRK2MTOR
SCHEMBL3766688 0.84 NOS1 (0.72) NOS1STK4STK3LRRK2MTOR
SCHEMBL3758424 0.84 NOS1 (0.63) NOS1MTORPIK3CA
SCHEMBL3762839 0.83 NOS1 (0.67) NOS1STK4STK3LRRK2MTOR
SCHEMBL3760110 0.81 NOS1 (0.59) NOS1STK4STK3LRRK2MTOR
SCHEMBL3752786 0.80 NOS1 (0.63) NOS1STK4STK3LRRK2MTOR
SCHEMBL3765785 0.80 NOS1 (0.63) NOS1MTORPIK3CAHRH4ATR
SCHEMBL3760448 0.80 NOS1 (0.72) NOS1MTORPIK3CAHDAC6PIK3CB

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 6 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-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 2154/4885STK4 2123/4885STK3 2646/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885STK4 2123/4885STK3 2646/4885

“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.