SCHEMBL3755618

SCHEMBL3755618

CCCn1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.62
PIK3CA P42336 3/20 0.47
LRRK2 Q5S007 1/20 0.41
PIK3CD O00329 1/20 0.40
MAPK1 P28482 2/20 0.40
NUDT1 P36639 1/20 0.39
ADK P55263 1/20 0.39

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
SCHEMBL3760285 0.89 NOS1 (0.59) NOS1PIK3CALRRK2MAPK1ADK
SCHEMBL3765490 0.87 NOS1 (0.70) NOS1PIK3CALRRK2PIK3CDADK
SCHEMBL3763426 0.87 NOS1 (0.61) NOS1PIK3CALRRK2MAPK1ADK
SCHEMBL3765188 0.84 NOS1 (0.60) NOS1PIK3CALRRK2PIK3CDMAPK1
SCHEMBL3762264 0.83 NOS1 (0.71) NOS1PIK3CAMAPK1ADK
SCHEMBL3763715 0.79 NOS1 (0.78) NOS1PIK3CAPIK3CD
SCHEMBL3755584 0.78 NOS1 (0.76) NOS1PIK3CAPIK3CDADK
SCHEMBL4450139 0.78 NOS1 (0.78) NOS1PIK3CAMAPK1ADK
SCHEMBL4451655 0.78 NOS1 (0.78) NOS1PIK3CAMAPK1ADK
SCHEMBL3761307 0.78 NOS1 (0.69) NOS1PIK3CANUDT1ADK

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-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 2351/4885LRRK2 1434/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885LRRK2 1434/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885LRRK2 1434/4885

“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.