SCHEMBL3757137

SCHEMBL3757137

CCOc1nc(N)nc2ncc(-c3cnn(CC4OCCO4)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.46
TBK1 Q9UHD2 1/20 0.46
NOS1 P29475 10/20 0.37
PIK3CG P48736 2/20 0.34
MET P08581 1/20 0.33
FGFR1 P11362 4/20 0.33
FGFR2 P21802 4/20 0.33
FGFR3 P22607 4/20 0.33
FAAH O00519 1/20 0.33
ATR Q13535 1/20 0.33
FGFR4 P22455 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL3760900 0.82 MAPK1 (0.43) NOS1PIK3CGFGFR1FGFR2FGFR3
SCHEMBL3757193 0.81 CSF1R (0.44) NOS1PIK3CGMETFGFR1FGFR2
SCHEMBL3765134 0.81 MAPK1 (0.43) NOS1PIK3CGFGFR1FGFR2FGFR3
SCHEMBL3765188 0.80 NOS1 (0.60) IKBKETBK1NOS1METFAAH
SCHEMBL3760316 0.79 KDM5B (0.38) NOS1PIK3CGMETFGFR1FGFR2
SCHEMBL3757974 0.78 ADORA2A (0.45) NOS1PIK3CGATR
SCHEMBL3766003 0.76 PIK3CG (0.44) NOS1PIK3CGFGFR1
SCHEMBL3760475 0.73 NOS1 (0.45) NOS1PIK3CG
SCHEMBL3763207 0.72 ROCK2 (0.38) NOS1PIK3CG
SCHEMBL3757302 0.72 NOS1 (0.44) NOS1PIK3CG

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 IKBKE 1861/4885TBK1 1005/4885NOS1 2154/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 IKBKE 1861/4885TBK1 1005/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 IKBKE 1861/4885TBK1 1005/4885NOS1 2154/4885

“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.