SCHEMBL3755512

SCHEMBL3755512

Cc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)nc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.67
NUDT1 P36639 1/20 0.41
ADK P55263 3/20 0.40
PIK3CA P42336 6/20 0.39
MTOR P42345 4/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CG P48736 1/20 0.39
GAK O14976 1/20 0.39
PRKDC P78527 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PIK3R1 P27986 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3757175 0.84 NOS1 (0.63) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3765626 0.84 NOS1 (0.63) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3768171 0.82 NOS1 (0.67) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3765592 0.82 NOS1 (0.64) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL14304541 0.81 NOS1 (0.65) NOS1NUDT1PIK3CAMTORPIK3CD
SCHEMBL3759363 0.81 NOS1 (0.72) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3755666 0.81 NOS1 (0.69) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3759341 0.81 NOS1 (0.65) NOS1NUDT1ADKPIK3CAMTOR
SCHEMBL3757011 0.80 NOS1 (0.64) NOS1PIK3CAMTORPIK3CGGAK
SCHEMBL4450316 0.80 NOS1 (0.82) NOS1ADKPIK3CAMTORPIK3CD

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 2154/4885NUDT1 60/4885ADK 2266/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885ADK 2266/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885NUDT1 60/4885ADK 2266/4885

“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.