SCHEMBL3755283

SCHEMBL3755283

Cc1onc(-c2ccccc2)c1-c1cnc2nc(N)nc(N3CCOCC3)c2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.71
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
HIF1A Q16665 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AR P10275 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3765116 0.85 NOS1 (0.61) NOS1HSD17B10ALDH1A1CYP3A4CYP1A2
SCHEMBL5317835 0.84 NOS1 (1.00) NOS1HSD17B10ALDH1A1CASP1PIK3CA
Water SCHEMBL6491267 0.83 NOS1 (0.98) NOS1HSD17B10ALDH1A1CASP1PIK3CA
SCHEMBL3762228 0.82 NOS1 (0.95) NOS1ALDH1A1PIK3CA
SCHEMBL3761144 0.78 NOS1 (0.80) NOS1HSD17B10ALDH1A1HPGDTSHR
SCHEMBL3759363 0.78 NOS1 (0.72) NOS1ALDH1A1CYP3A4CYP1A2TSHR
SCHEMBL3757220 0.77 NOS1 (0.81) NOS1ALDH1A1SMN1; SMN2PIK3CA
SCHEMBL3765592 0.77 NOS1 (0.64) NOS1PIK3CAPIK3R1
SCHEMBL3760462 0.77 NOS1 (0.70) NOS1SMN1; SMN2KDM4EPIK3CA
SCHEMBL3763980 0.77 NOS1 (0.70) NOS1PIK3CAADORA2A

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 2154/4885HSD17B10 2621/4885ALDH1A1 1548/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885HSD17B10 2621/4885ALDH1A1 1548/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885HSD17B10 2621/4885ALDH1A1 1548/4885

“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.