SCHEMBL1909155

SCHEMBL1909155

[C-]#[N+]c1c(C)cc(NC(=O)OC(C)(C)C)nc1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.44
SCN9A Q15858 1/20 0.37
KLKB1 P03952 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
BRD9 Q9H8M2 1/20 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
SCHEMBL7314111 0.78 LCK (0.48) LCKSCN9A
SCHEMBL9887468 0.77 KLKB1 (0.44) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL554149 0.76 LCK (0.41) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL553661 0.76 KLKB1 (0.44) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL20355063 0.75 LCK (0.49) LCKSCN9AGSK3BDYRK1ACA12
SCHEMBL6469040 0.74 LCK (0.46) LCKSCN9AGSK3BDYRK1ACA12
SCHEMBL4618882 0.74 KLKB1 (0.53) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL20350467 0.73 LCK (0.50) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL554118 0.73 LCK (0.39) LCKSCN9AKLKB1GSK3BDYRK1A
SCHEMBL7110406 0.71 LCK (0.48) LCKGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US 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 (2 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH LCK 301/4885SCN9A 1674/4885KLKB1 2575/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT LCK 1102/4885SCN9A 1410/4885KLKB1 4526/4885

“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.