SCHEMBL5404960

SCHEMBL5404960

c1ccc(CN2CCN(Cc3ccc4[nH]ncc4c3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.67
ROCK1 Q13464 10/20 0.67
CCR2 P41597 5/20 0.67
KMT2A Q03164 1/20 0.60
GRIN2B Q13224 1/20 0.57
SIGMAR1 Q99720 4/20 0.56
DRD4 P21917 3/20 0.56
CDC7 O00311 1/20 0.55
CCR3 P51677 1/20 0.53
PLK4 O00444 1/20 0.53
AURKA O14965 1/20 0.53
CHUK O15111 1/20 0.53
MAPK13 O15264 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
CHEK2 O96017 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.53

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
SCHEMBL31010121 0.87 ROCK2 (0.60) ROCK2ROCK1CCR2SIGMAR1DRD4
SCHEMBL5409362 0.86 ROCK2 (0.62) ROCK2ROCK1CCR2DRD4CDC7
SCHEMBL23647459 0.81 ROCK2 (0.56) ROCK2ROCK1CCR2GRIN2BCDC7
SCHEMBL5639760 0.81 ROCK2 (1.00) ROCK2ROCK1CCR2GRIN2BSIGMAR1
SCHEMBL5407412 0.81 MAPK14 (0.70) ROCK2ROCK1CCR2KMT2AGRIN2B
SCHEMBL224917 0.80 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL14196189 0.80 GSK3B (0.57) ROCK2ROCK1KMT2AGRIN2BCDC7
SCHEMBL6585051 0.80 ROCK2 (0.58) ROCK2ROCK1KMT2AGRIN2BCDC7
Hydrochloric Acid SCHEMBL1716387 0.79 ROCK2 (0.98) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL2457372 0.79 ROCK2 (0.98) 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 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.