SCHEMBL6074035

SCHEMBL6074035

CNc1ccc2cnc([S+](C)[O-])nc2n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
HCAR3 P49019 1/20 0.30

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
SCHEMBL24375911 0.74 CYP1A2 (0.41) NCF1
SCHEMBL6074025 0.73
SCHEMBL6073725 0.70 NCF1 (0.39) NCF1HCAR3
SCHEMBL6073576 0.67 FGFR1 (0.38)
SCHEMBL5407960 0.66 CYP1A2 (0.30)
SCHEMBL2734677 0.65 MAPK8 (0.38)
SCHEMBL5410513 0.65 NPC1 (0.37)
SCHEMBL5408100 0.62 TDO2 (0.37)
SCHEMBL28091589 0.62 NCF1 (0.41) NCF1HCAR3
SCHEMBL13233227 0.62 FGFR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053070-B2 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-05-30 US disclosed
US-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors BOOTH RICHARD JOHN (US) 2003-04-17 US disclosed
CN-1395578-A Byrido [2,3-d] pyrimidine-2, 7-diamine kinase inhibitors WARNER LAMBERT CO (US) 2003-02-05 CN 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 (1 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-20030073668-A1 Pyrido[2,3-d]pyrimidine-2,7-diamine kinase inhibitors CDK9, CDK19, CDK3 NCF1 1813/4885HCAR3 465/4885

“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.