SCHEMBL3759892

SCHEMBL3759892

CCOC(=O)COc1ccc(-c2cnc3nc(N)nc(OCC)c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
PIK3CG P48736 2/20 0.43
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
SQOR Q9Y6N5 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
SCHEMBL3769900 0.88 PIK3CG (0.44) NOS1KDM4EMAPTHSD17B10ALDH1A1
SCHEMBL4456209 0.87 NOS1 (0.57) NOS1KDM4EMAPTHPGDPIK3CG
SCHEMBL3755372 0.84 NPC1 (0.47) NOS1KDM4EMAPTALDH1A1TP53
SCHEMBL3760786 0.84 NOS1 (0.52) NOS1KDM4EMAPTALDH1A1HPGD
SCHEMBL3769694 0.82 NOS1 (0.67) NOS1KDM4EMAPTALDH1A1HPGD
SCHEMBL3755577 0.82 NOS1 (0.61) NOS1PIK3CG
SCHEMBL3755444 0.81 PIK3CG (0.47) NOS1PIK3CG
SCHEMBL4452145 0.81 PIK3CG (0.47) NOS1PIK3CG
SCHEMBL3766655 0.81 PIK3CG (0.65) NOS1PIK3CG
SCHEMBL3755599 0.81 NOS1 (0.52) NOS1KDM4EMAPTPIK3CGNPC1

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 2154/4885KDM4E 763/4885MAPT 4683/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885MAPT 4683/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885KDM4E 763/4885MAPT 4683/4885

“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.