SCHEMBL2571386

SCHEMBL2571386

O=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 1.00
ROCK1 Q13464 12/20 1.00
CCR2 P41597 5/20 0.79
CCR3 P51677 2/20 0.68
POLB P06746 1/20 0.65
ULK1 O75385 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
SCHEMBL5419708 0.86 ROCK2 (0.75) ROCK2ROCK1CCR2CCR3
SCHEMBL12060045 0.82 POLB (0.90) ROCK2ROCK1CCR2POLBULK1
SCHEMBL224917 0.82 ROCK2 (1.00) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL2457372 0.81 ROCK2 (0.98) ROCK2ROCK1CCR2
Hydrochloric Acid SCHEMBL1716387 0.81 ROCK2 (0.98) ROCK2ROCK1CCR2
SCHEMBL6702434 0.81 CCR3 (1.00) ROCK2ROCK1CCR2CCR3
Hydrochloric Acid SCHEMBL2457485 0.80 ROCK2 (0.96) ROCK2ROCK1CCR2
SCHEMBL2560944 0.80 ROCK2 (0.67) ROCK2ROCK1CCR2ULK1
SCHEMBL5407408 0.80 ROCK2 (0.67) ROCK2ROCK1CCR2CCR3
SCHEMBL31438888 0.80 POLB (1.00) ROCK2ROCK1CCR2POLBULK1

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
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
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.