SCHEMBL5639760

SCHEMBL5639760

c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 1.00
ROCK1 Q13464 10/20 1.00
CCR2 P41597 5/20 1.00
HRH3 Q9Y5N1 2/20 0.54
DRD4 P21917 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
OPRK1 P41145 1/20 0.52
GRIN2B Q13224 2/20 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
SCHEMBL5639778 0.93 ROCK1 (0.88) ROCK2ROCK1CCR2
SCHEMBL5637871 0.93 ROCK1 (0.88) ROCK2ROCK1CCR2
SCHEMBL5637873 0.93 ROCK1 (0.88) ROCK2ROCK1CCR2
SCHEMBL5639880 0.90 ROCK2 (0.82) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5639733 0.90 ROCK2 (0.81) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5640347 0.89 ROCK2 (0.80) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5640737 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL5641128 0.87 ROCK2 (0.77) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5641682 0.84 ROCK2 (0.73) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5642402 0.84 ROCK2 (0.72) ROCK2ROCK1CCR2DRD4SIGMAR1

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.