SCHEMBL5641128

SCHEMBL5641128

Clc1ccccc1CN1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.77
ROCK1 Q13464 12/20 0.77
CCR2 P41597 6/20 0.77
DRD4 P21917 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
PIM1 P11309 1/20 0.48
GSK3B P49841 1/20 0.48
AURKB Q96GD4 1/20 0.48
CCR3 P51677 2/20 0.47
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM4 P08173 1/20 0.46
CXCR4 P61073 1/20 0.45

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
SCHEMBL5640525 0.94 ROCK2 (0.68) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5640516 0.94 ROCK2 (0.68) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5641841 0.88 ROCK2 (0.78) ROCK2ROCK1CCR2KCNH2
SCHEMBL5639760 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5639733 0.84 ROCK2 (0.81) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5639880 0.82 ROCK2 (0.82) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL12192853 0.82 ROCK1 (0.59) ROCK2ROCK1CCR2CCR3HRH1
SCHEMBL5640347 0.81 ROCK2 (0.80) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5637873 0.81 ROCK1 (0.88) ROCK2ROCK1CCR2KCNH2
SCHEMBL5637871 0.81 ROCK1 (0.88) ROCK2ROCK1CCR2KCNH2

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.