SCHEMBL3760969

SCHEMBL3760969

CCOc1nc(N)nc2ncc(-c3ccccc3Cl)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
MPO P05164 3/20 0.46
NOS1 P29475 7/20 0.43
PTPN1 P18031 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPX P11678 1/20 0.38
MGMT P16455 1/20 0.38
MAPK14 Q16539 1/20 0.38
AGPAT2 O15120 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PRKDC P78527 1/20 0.37
ATR Q13535 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
SCHEMBL3755307 0.91 PTPN1 (0.44) L3MBTL1GAAMPONOS1PTPN1
SCHEMBL3765833 0.87 NOS1 (0.53) MPONOS1TPOCYP3A4EPX
SCHEMBL3757233 0.87 MAPT (0.48) L3MBTL1MPONOS1PTPN1HSP90AA1
SCHEMBL3769692 0.86 NOS1 (0.44) MPONOS1PTPN1CCNA2CDK2
SCHEMBL3762339 0.86 NOS1 (0.44) NOS1AGPAT2
SCHEMBL3759391 0.86 NOS1 (0.42) MPONOS1PTPN1HSP90AA1HSP90AB1
SCHEMBL3766547 0.86 PTPN1 (0.44) MPONOS1PTPN1HSP90AA1HSP90AB1
SCHEMBL3752631 0.85 NOS1 (0.43) MPONOS1TPOCYP3A4EPX
SCHEMBL3760449 0.85 NOS1 (0.44) NOS1ATR
SCHEMBL3760895 0.85 MPO (0.40) MPONOS1PTPN1HSP90AA1HSP90AB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US 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 L3MBTL1 1950/4885GAA 2285/4885MPO 2288/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 L3MBTL1 1950/4885GAA 2285/4885MPO 2288/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 L3MBTL1 1950/4885GAA 2285/4885MPO 2288/4885

“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.