SCHEMBL3755480

SCHEMBL3755480

CCOc1nc(N)nc2ncc(-c3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 9/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GPR84 Q9NQS5 1/20 0.37
PDE10A Q9Y233 1/20 0.36
TRPA1 O75762 1/20 0.36
RORC P51449 1/20 0.36
MPL P40238 1/20 0.35
DHFR P00374 1/20 0.35
PTPN1 P18031 1/20 0.35
MAOB P27338 1/20 0.34
SCN9A Q15858 2/20 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
SCHEMBL3762339 0.89 NOS1 (0.44) NOS1DHFRMAOB
SCHEMBL4452427 0.86 HSP90AA1 (0.46) NOS1DHFRPTPN1
SCHEMBL3767255 0.84 PTPN1 (0.47) NOS1ALOX5APFEN1TRPA1PTPN1
SCHEMBL3752631 0.83 NOS1 (0.43) NOS1ALOX5APFEN1MPL
SCHEMBL3766518 0.83 MGMT (0.47) NOS1
SCHEMBL3760633 0.82 MAOB (0.44) NOS1ALOX5APFEN1DHFRMAOB
SCHEMBL3769692 0.82 NOS1 (0.44) NOS1PTPN1
SCHEMBL3760449 0.81 NOS1 (0.44) NOS1
SCHEMBL3760969 0.81 L3MBTL1 (0.47) NOS1PTPN1
SCHEMBL3755468 0.80 NOS1 (0.51) NOS1

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-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
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 2154/4885ALOX5AP 2953/4885FEN1 36/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885ALOX5AP 2953/4885FEN1 36/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885ALOX5AP 2953/4885FEN1 36/4885

“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.