SCHEMBL3073386

SCHEMBL3073386

CN(C)S(=O)(=O)c1ccc[n+](N)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 4/20 0.38
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL5232754 0.85 RAPGEF4 (0.41) RAPGEF4MAPTNPSR1LMNAFFAR4
SCHEMBL5384451 0.82 RAPGEF4 (0.41) RAPGEF4MAPTNPSR1TSHRGAA
SCHEMBL13143019 0.82 ALDH1A1 (0.41) MAPTNPSR1NPC1RAB9ATNF
SCHEMBL3461956 0.80 RAPGEF4 (0.39) RAPGEF4MAPTNPSR1TSHRGAA
SCHEMBL5230082 0.79 RAPGEF4 (0.45) RAPGEF4MAPTNPSR1TSHRGAA
SCHEMBL2968699 0.79 RAPGEF4 (0.38) RAPGEF4MAPTNPSR1MEN1KMT2A
SCHEMBL29489025 0.79 RAPGEF4 (0.38) RAPGEF4MAPTNPSR1MEN1KMT2A
SCHEMBL1290843 0.79 RAPGEF4 (0.38) RAPGEF4MAPTNPSR1TSHRLMNA
SCHEMBL5234362 0.77 LMNA (0.41) RAPGEF4MAPTNPSR1RAB9AGAA
SCHEMBL1694111 0.77 RAPGEF4 (0.41) RAPGEF4MAPTNPSR1ALDH1A1LMNA

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-7795273-B2 Pyrazolo[1,5-a]pyridine-3-carboxylic acids as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2010-09-14 — — US disclosed
US-20080300245-A1 Pyrazolo[1,5-A]Pyridine-3-Carboxylic Acids as Ephb and Vegfr2 Kinase Inhibitors IMBACH PATRICIA 2008-12-04 — — US disclosed
EP-1963316-A2 PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACIDS AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 — — EP disclosed
WO-2007065664-A2 PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACIDS AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 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-20080300245-A1 Pyrazolo[1,5-A]Pyridine-3-Carboxylic Acids as Ephb and Vegfr2 Kinase Inhibitors EPHB2, EPHB1, EPHB3 RAPGEF4 861/4885MAPT 1687/4885NPSR1 1425/4885

“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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