SCHEMBL5924470

SCHEMBL5924470

NC(=O)c1cc(-c2n[nH]c3ncccc23)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.50
CDK8 P49336 6/20 0.50
CAMKK2 Q96RR4 2/20 0.46
PIM1 P11309 4/20 0.42
CDC7 O00311 2/20 0.41
ROCK1 Q13464 1/20 0.40
PIM2 Q9P1W9 1/20 0.39
MAP2K4 P45985 1/20 0.38
MAP2K1 Q02750 1/20 0.38
RIPK1 Q13546 1/20 0.38
NUDT1 P36639 1/20 0.37
TTK P33981 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL5539335 0.78 CAMKK2 (0.48) CAMKK2PIM1CDC7ROCK1MAP2K4
SCHEMBL3189066 0.76 AURKA (0.59)
SCHEMBL4115515 0.73 JAK2 (0.54) CCNCCDK8PIM1ROCK1MAP2K4
SCHEMBL1384475 0.72 CAMKK2 (0.46) CAMKK2MAP2K1RIPK1
SCHEMBL29732854 0.72 CAMKK2 (0.46) CAMKK2MAP2K1RIPK1
SCHEMBL3351246 0.71 HDAC1 (0.40) CAMKK2PIM1
SCHEMBL5536781 0.71 CAMKK2 (0.47) CAMKK2ROCK1MAP2K4MAP2K1
SCHEMBL5541202 0.71 CAMKK2 (0.39) CAMKK2PIM1CDC7ROCK1RIPK1
SCHEMBL5536725 0.70 CAMKK2 (0.41) CAMKK2PIM1CDC7ROCK1MAP2K4
SCHEMBL1513056 0.70 ALDH1A1 (0.55) PIM1PIM2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122185-A1 Bicyclic inhibitors of Rho kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-06-08 US 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-20060122185-A1 Bicyclic inhibitors of Rho kinase ROCK1, ROCK2, RHOA CCNC 540/4885CDK8 412/4885CAMKK2 67/4885

“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.