SCHEMBL3768010

SCHEMBL3768010

CCOc1nc(N)nc2ncc(-c3ccc(C)cn3)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 0.44
HDAC6 Q9UBN7 2/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
MPO P05164 2/20 0.41
PIK3CG P48736 3/20 0.36
PIN1 Q13526 1/20 0.36
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
METAP2 P50579 1/20 0.33
DHFR P00374 1/20 0.33

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
SCHEMBL3755577 0.86 NOS1 (0.61) NOS1HDAC6MPOPIK3CGPIN1
SCHEMBL3755700 0.82 NOS1 (0.46) NOS1HDAC6MPOPIK3CGPIK3CA
SCHEMBL3761138 0.81 NOS1 (0.42) NOS1HDAC6MPOPIK3CGPIN1
SCHEMBL3752778 0.81 NOS1 (0.42) NOS1HDAC6MPOPIK3CGPIN1
SCHEMBL3755735 0.81 NOS1 (0.45) NOS1HDAC6MPOPIK3CGPIK3CA
SCHEMBL3755725 0.80 NOS1 (0.39) NOS1HDAC6MPOPIK3CGPIK3CA
SCHEMBL3768033 0.80 NOS1 (0.41) NOS1HDAC6MPOPIK3CGPIK3CA
SCHEMBL3755599 0.79 NOS1 (0.52) NOS1HDAC6PIK3CGPIK3CAPIK3CB
SCHEMBL5523485 0.79 NOS1 (0.55) NOS1HDAC6PIK3CGPIK3CAPIK3CB
SCHEMBL3766675 0.79 NOS1 (0.46) NOS1DHFR

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 2154/4885HDAC6 3073/4885CCR1 1296/4885
US-10144736-B2 Substituted pteridines useful for the treatment and prevention of viral infections HCCS, DPYD, HAVCR2 NOS1 2154/4885HDAC6 3073/4885CCR1 1296/4885
US-20100305117-A1 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS HCCS, DPYD, HAVCR2 NOS1 2154/4885HDAC6 3073/4885CCR1 1296/4885

“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.