SCHEMBL5643209

SCHEMBL5643209

Cc1ccc(S(=O)(=O)N2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.61
ROCK1 Q13464 6/20 0.59
CCR2 P41597 3/20 0.59
ARHGDIA P52565 1/20 0.53
CYP3A4 P08684 1/20 0.52

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
SCHEMBL5640279 0.94 ROCK2 (0.65) ROCK2ROCK1CCR2
SCHEMBL5639070 0.90 ROCK2 (0.64) ROCK2ROCK1CCR2
SCHEMBL5641208 0.90 ROCK2 (0.62) ROCK2ROCK1CCR2CYP3A4
SCHEMBL14514438 0.84 ROCK2 (0.65) ROCK2ROCK1CCR2
SCHEMBL5641662 0.84 ROCK2 (0.63) ROCK2ROCK1CCR2
SCHEMBL5407405 0.83 ROCK2 (0.64) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL5638941 0.82 ROCK2 (0.59) ROCK2ROCK1CCR2
SCHEMBL5401638 0.81 ROCK2 (0.63) ROCK2ROCK1CCR2CYP3A4
SCHEMBL5412716 0.80 ROCK2 (0.62) ROCK2ROCK1CCR2CYP3A4
SCHEMBL1715804 0.78 ROCK2 (0.89) ROCK2ROCK1CCR2

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
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885CCR2 3344/4885

“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.