SCHEMBL3765626

SCHEMBL3765626

Cc1ccc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.63
PRKDC P78527 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 4/20 0.39
PIK3CD O00329 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
GAK O14976 1/20 0.39
NUDT1 P36639 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ADK P55263 2/20 0.38
AR P10275 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
SCHEMBL3757175 0.92 NOS1 (0.63) NOS1PRKDCKDM4EALDH1A1GLA
SCHEMBL3757011 0.86 NOS1 (0.64) NOS1PIK3CAMTORPIK3CGGAK
SCHEMBL3758206 0.85 NOS1 (0.63) NOS1PRKDCPIK3CAPIK3CDMTOR
SCHEMBL3755665 0.85 NOS1 (0.58) NOS1PRKDCKDM4EALDH1A1GLA
SCHEMBL3761838 0.84 NOS1 (0.64) NOS1PRKDCPIK3CAPIK3CDMTOR
SCHEMBL3755512 0.84 NOS1 (0.67) NOS1PRKDCKDM4EALDH1A1GLA
SCHEMBL3759297 0.83 NOS1 (0.61) NOS1PRKDCPIK3CAPIK3CDMTOR
SCHEMBL3759363 0.83 NOS1 (0.72) NOS1ALDH1A1PIK3CAPIK3CDMTOR
SCHEMBL3765592 0.81 NOS1 (0.64) NOS1PRKDCPIK3CAMTORGAK
SCHEMBL3758013 0.81 NOS1 (0.58) NOS1PRKDCKDM4EALDH1A1GLA

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 2154/4885PRKDC 3362/4885KDM4E 763/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885PRKDC 3362/4885KDM4E 763/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885PRKDC 3362/4885KDM4E 763/4885

“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.