SCHEMBL3757268

SCHEMBL3757268

Cc1csc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.60
PIK3CA P42336 5/20 0.42
GAK O14976 1/20 0.39
NUDT1 P36639 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ADK P55263 3/20 0.38
PRKDC P78527 1/20 0.36
MTOR P42345 3/20 0.36
MGMT P16455 1/20 0.36
LRRK2 Q5S007 1/20 0.36
PIK3R1 P27986 2/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL3768171 0.84 NOS1 (0.67) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL4113278 0.82 NOS1 (0.43) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3758013 0.81 NOS1 (0.58) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3755666 0.81 NOS1 (0.69) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3755512 0.79 NOS1 (0.67) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL14304541 0.79 NOS1 (0.65) NOS1PIK3CANUDT1CRHBPCRHR2
SCHEMBL3765626 0.79 NOS1 (0.63) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3757175 0.79 NOS1 (0.63) NOS1PIK3CAGAKNUDT1CRHBP
SCHEMBL3761856 0.78 NOS1 (0.65) NOS1PIK3CAADKPRKDCMTOR

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 2154/4885PIK3CA 2351/4885GAK 2047/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885GAK 2047/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PIK3CA 2351/4885GAK 2047/4885

“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.