SCHEMBL3755674

SCHEMBL3755674

CCOc1ncnc2ncc(-c3ccc(F)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
MET P08581 6/20 0.42
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PIK3CG P48736 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
XDH P47989 1/20 0.37
MAPK1 P28482 1/20 0.37
PTK2B Q14289 2/20 0.36
PPARG P37231 1/20 0.36
MCL1 Q07820 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ADK P55263 1/20 0.36
NR3C1 P04150 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3765563 0.86 SQOR (0.46) NOS1METKDM4EPIK3CGHPGD
SCHEMBL3759576 0.83 NOS1 (0.42) NOS1METKDM4EPIK3CGHPGD
SCHEMBL4408579 0.82 NOS1 (0.50) NOS1METPIK3CG
SCHEMBL4523958 0.80 MAP4K4 (0.46)
SCHEMBL12997467 0.79 NOS1 (0.48) NOS1METKDM4ENPC1PIK3CG
SCHEMBL3760437 0.77 NOS1 (0.42) NOS1METKDM4EPIK3CGHPGD
SCHEMBL4408548 0.77 MAPT (0.43) NOS1METKDM4EMAPTHPGD
SCHEMBL3766438 0.76 PIK3CG (0.63) NOS1METKDM4EPIK3CGHPGD
SCHEMBL22714176 0.76 NOS1 (0.48) NOS1METKDM4ENPC1PIK3CG
SCHEMBL29427710 0.76 NOS1 (0.48) NOS1METKDM4ENPC1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections GILEAD SCIENCES, INC. (US) 2018-12-04 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
US-20190152974-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2019-05-23 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 2154/4885MET 2516/4885KDM4E 763/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MET 2516/4885KDM4E 763/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MET 2516/4885KDM4E 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.