SCHEMBL3767255

SCHEMBL3767255

CCOc1nc(N)nc2ncc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.47
TRPA1 O75762 3/20 0.43
NOS1 P29475 5/20 0.41
ATR Q13535 2/20 0.40
TLR8 Q9NR97 1/20 0.39
CTSK P43235 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 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
SCHEMBL3765511 0.86 ALOX5AP (0.40) PTPN1NOS1ALOX5APFEN1
SCHEMBL3752631 0.85 NOS1 (0.43) NOS1ATRTLR8ALOX5APFEN1
SCHEMBL3755480 0.84 NOS1 (0.40) PTPN1TRPA1NOS1ALOX5APFEN1
SCHEMBL3762339 0.83 NOS1 (0.44) NOS1
SCHEMBL3769692 0.83 NOS1 (0.44) PTPN1NOS1ATR
SCHEMBL4524229 0.83 PTPN1 (0.48) PTPN1TRPA1TLR8CTSK
SCHEMBL3760449 0.82 NOS1 (0.44) NOS1ATRTLR8
SCHEMBL3760969 0.82 L3MBTL1 (0.47) PTPN1NOS1ATR
SCHEMBL4452427 0.81 HSP90AA1 (0.46) PTPN1NOS1ATR
SCHEMBL3765833 0.81 NOS1 (0.53) NOS1ATRTLR8

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 PTPN1 2905/4885TRPA1 4636/4885NOS1 2154/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 PTPN1 2905/4885TRPA1 4636/4885NOS1 2154/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 PTPN1 2905/4885TRPA1 4636/4885NOS1 2154/4885

“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.