SCHEMBL1716618

SCHEMBL1716618

c1ccc(CCNC2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.81
ROCK1 Q13464 14/20 0.81
CCR2 P41597 5/20 0.67
ARHGDIA P52565 2/20 0.62
CYP3A4 P08684 3/20 0.56

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
SCHEMBL14514415 1.00 ROCK2 (0.81) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514413 1.00 ROCK2 (0.81) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514371 0.89 ROCK2 (1.00) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL1716541 0.89 ROCK2 (1.00) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514374 0.89 ROCK2 (1.00) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514432 0.87 ROCK2 (0.72) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514431 0.87 ROCK2 (0.72) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL10263398 0.87 ROCK2 (0.72) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL1717403 0.86 ROCK2 (0.77) ROCK2ROCK1CCR2ARHGDIACYP3A4
SCHEMBL14514411 0.84 ROCK2 (0.62) ROCK2ROCK1CCR2ARHGDIACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP claimed
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 claimed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP claimed
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP 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.