SCHEMBL3765116

SCHEMBL3765116

Cc1noc(C)c1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.61
CYP1A2 P05177 4/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CYP3A4 P08684 3/20 0.45
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
HPGD P15428 1/20 0.44
PDE10A Q9Y233 2/20 0.42
NUDT1 P36639 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3755283 0.85 NOS1 (0.71) NOS1CYP1A2CLK4CYP3A4LMNA
SCHEMBL3765592 0.82 NOS1 (0.64) NOS1NUDT1MTORPIK3CA
SCHEMBL3760468 0.82 NOS1 (0.60) NOS1NUDT1MTORPIK3CA
SCHEMBL3765558 0.82 NOS1 (0.60) NOS1NUDT1ATRATRIPMTOR
SCHEMBL4119421 0.81 CYP1A2 (0.50) NOS1CYP1A2CLK4CYP3A4LMNA
SCHEMBL14304541 0.80 NOS1 (0.65) NOS1TSHRHPGDNUDT1MTOR
SCHEMBL3763715 0.78 NOS1 (0.78) NOS1MTORPIK3CA
SCHEMBL3755512 0.78 NOS1 (0.67) NOS1ALDH1A1HSD17B10HPGDNUDT1
SCHEMBL3768171 0.78 NOS1 (0.67) NOS1NUDT1ATRATRIPMTOR
SCHEMBL3760462 0.78 NOS1 (0.70) NOS1MTORPIK3CA

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 2154/4885CYP1A2 686/4885CLK4 3880/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP1A2 686/4885CLK4 3880/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885CYP1A2 686/4885CLK4 3880/4885

“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.