SCHEMBL5409362

SCHEMBL5409362

c1ccc(CN2CCN(c3ccc4[nH]ncc4c3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.62
ROCK1 Q13464 8/20 0.62
CCR2 P41597 5/20 0.62
CYP3A4 P08684 4/20 0.61
DRD4 P21917 2/20 0.55
CDC7 O00311 2/20 0.55
JAK2 O60674 2/20 0.55
GSK3B P49841 2/20 0.55
AURKB Q96GD4 2/20 0.55
AURKA O14965 1/20 0.55
CHUK O15111 1/20 0.55
DAPK3 O43293 1/20 0.55
CHEK2 O96017 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55
CDK2 P24941 1/20 0.55
MARK3 P27448 1/20 0.55
MAPK1 P28482 1/20 0.55
CSNK1D P48730 1/20 0.55

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
SCHEMBL5404960 0.86 ROCK2 (0.67) ROCK2ROCK1CCR2DRD4CDC7
SCHEMBL4313225 0.80 MAPK14 (0.61) DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL6232404 0.79 KMT2A (0.71) DRD4
SCHEMBL24172739 0.78 CYP3A4 (0.58) ROCK2ROCK1CYP3A4JAK2GSK3B
SCHEMBL15515501 0.78 CYP3A4 (0.58) ROCK2ROCK1CYP3A4JAK2GSK3B
SCHEMBL5639760 0.77 ROCK2 (1.00) ROCK2ROCK1CCR2DRD4
SCHEMBL5407412 0.77 MAPK14 (0.70) ROCK2ROCK1CCR2MAPK1PRKAA1
SCHEMBL23647459 0.77 ROCK2 (0.56) ROCK2ROCK1CCR2CDC7JAK2
SCHEMBL224917 0.76 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL2798618 0.76 CDC7 (0.59) ROCK2ROCK1CYP3A4CDC7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885CCR2 2824/4885

“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.