SCHEMBL3765370

SCHEMBL3765370

Fc1ccc(-c2cnc3ncnc(C4CC4)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.45
MET P08581 4/20 0.41
CYP17A1 P05093 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPK1 P28482 1/20 0.38
ADK P55263 2/20 0.36
MCHR1 Q99705 2/20 0.36
HPGD P15428 2/20 0.36
PTK2B Q14289 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
STK17B O94768 1/20 0.35
PRKAA2 P54646 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 1/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL3755819 0.81 NOS1 (0.50) NOS1METPIK3CGMAPK1KDM4E
SCHEMBL4106564 0.80 MAP4K4 (0.44)
SCHEMBL12997467 0.78 NOS1 (0.48) NOS1METPIK3CGMAPK1ADK
SCHEMBL22714176 0.78 NOS1 (0.48) NOS1METPIK3CGMAPK1ADK
SCHEMBL29427710 0.78 NOS1 (0.48) NOS1METPIK3CGMAPK1ADK
SCHEMBL3766438 0.78 PIK3CG (0.63) NOS1METPIK3CGADKHPGD
Ammonia Solution, Strong SCHEMBL3755771 0.76 NOS1 (0.47) NOS1PIK3CG
SCHEMBL4106888 0.75 MAP4K4 (0.46)
SCHEMBL4095646 0.74 MAP4K4 (0.45)
SCHEMBL3769680 0.74 ADORA3 (0.47) NOS1HPGDCYP1A2CYP2C19STK17B

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 2 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 disclosed
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-12-02 US 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 (2 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-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MET 2516/4885CYP17A1 2599/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MET 2516/4885CYP17A1 2599/4885

“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.