SCHEMBL3541889

SCHEMBL3541889

COc1ccc[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 5/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.42
▸ FFAR4 Q5NUL3 4/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ F2 P00734 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ KEAP1 Q14145 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL31131624 1.00 RAPGEF4 (0.48) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL21835146 0.85 RAPGEF4 (0.55) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL5384451 0.84 RAPGEF4 (0.41) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL20638580 0.83 RAPGEF4 (0.39) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL1324339 0.82 CA12 (0.41) RAPGEF4SMN1; SMN2L3MBTL1NR3C1PGR
SCHEMBL3461956 0.82 RAPGEF4 (0.39) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL29489025 0.81 RAPGEF4 (0.38) RAPGEF4MEN1HTTKMT2AFFAR4
SCHEMBL2968699 0.81 RAPGEF4 (0.38) RAPGEF4MEN1HTTKMT2AFFAR4
SCHEMBL1290843 0.81 RAPGEF4 (0.38) RAPGEF4MEN1LMNATSHRHTT
SCHEMBL5230082 0.81 RAPGEF4 (0.45) RAPGEF4MEN1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 — — EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 — — US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 — — US disclosed
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 — — EP disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 — — 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 (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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 RAPGEF4 1098/4885MEN1 3489/4885LMNA 4786/4885

“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.

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