SCHEMBL5408219

SCHEMBL5408219

Cn1cc2cc(NC3CCN(Cc4ccccc4)CC3)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.59
ROCK1 Q13464 5/20 0.59
CCR2 P41597 2/20 0.59
GRIN2B Q13224 1/20 0.49
ACHE P22303 2/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NTSR1 P30989 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PARP14 Q460N5 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ITK Q08881 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
KDM1A O60341 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
NSD2 O96028 2/20 0.46

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
Hydrochloric Acid SCHEMBL5412884 0.99 ROCK2 (0.58) ROCK2ROCK1CCR2GRIN2BACHE
SCHEMBL13106872 0.79 KDM4E (0.52) ROCK2ROCK1MAPTKMT2AKDM4E
SCHEMBL5412948 0.78 ROCK2 (0.62) ROCK2ROCK1CCR2GRIN2BACHE
SCHEMBL14077547 0.77 KDM4E (0.50) PARP14KDM4EKDM1A
Hydrochloric Acid SCHEMBL5413188 0.77 ROCK2 (0.61) ROCK2ROCK1CCR2GRIN2BACHE
SCHEMBL5413101 0.76 KDM4E (0.49) KDM4E
SCHEMBL14077546 0.76 KDM4E (0.49) GRIN2BMAPTKDM4ENSD2
SCHEMBL925814 0.76 KMT2A (0.60) ROCK2ROCK1CCR2ACHEKMT2A
SCHEMBL3313890 0.75 ROCK2 (0.64) ROCK2ROCK1CCR2ACHELMNA
Hydrochloric Acid SCHEMBL5407757 0.75 KDM4E (0.48) KDM4E

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.