SCHEMBL3752631

SCHEMBL3752631

CCOc1nc(N)nc2ncc(-c3ccccc3F)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.43
MPO P05164 2/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK14 Q16539 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
ATR Q13535 1/20 0.37
NPC1 O15118 3/20 0.37
MPL P40238 1/20 0.37
RAB9A P51151 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TPO P07202 1/20 0.36
CYP3A4 P08684 1/20 0.36
EPX P11678 1/20 0.36
MGMT P16455 1/20 0.36

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
SCHEMBL3757250 0.91 NOS1 (0.42) NOS1MPOALDH1A1KDM4E
SCHEMBL3769692 0.86 NOS1 (0.44) NOS1MPOALDH1A1ATRNPC1
SCHEMBL3763092 0.86 NOS1 (0.42) NOS1MPOALDH1A1NPC1RAB9A
SCHEMBL3762339 0.86 NOS1 (0.44) NOS1ALDH1A1KDM4ERXFP1
SCHEMBL3759373 0.86 NOS1 (0.40) NOS1MPOALOX5AP
SCHEMBL3765540 0.86 MPO (0.38) NOS1MPONPC1RAB9AALOX5AP
SCHEMBL3755253 0.86 GRIN2B (0.39) NOS1MPO
SCHEMBL4781184 0.86 NOS1 (0.38) NOS1MPOMAPK14RXFP1ALOX5AP
SCHEMBL3760969 0.85 L3MBTL1 (0.47) NOS1MPOMAPK14ATRTPO
SCHEMBL3760449 0.85 NOS1 (0.44) NOS1ALDH1A1ATRTLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2154/4885MPO 2288/4885ALDH1A1 1548/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885ALDH1A1 1548/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885MPO 2288/4885ALDH1A1 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.