SCHEMBL4772895

SCHEMBL4772895

O=C(Nc1ccnc2[nH]ccc12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.67
ROCK1 Q13464 4/20 0.67
PRKD3 O94806 3/20 0.67
PRKACA P17612 3/20 0.67
PRKCQ Q04759 3/20 0.67
MAP4K4 O95819 2/20 0.67
CSNK1A1 P48729 2/20 0.67
CDK9 P50750 2/20 0.67
PRKCD Q05655 2/20 0.67
PKN2 Q16513 2/20 0.67
AAK1 Q2M2I8 2/20 0.67
PRKD2 Q9BZL6 2/20 0.67
CIT O14578 1/20 0.67
PRKCB P05771 1/20 0.67
PRKCA P17252 1/20 0.67
CSNK2A2 P19784 1/20 0.67
MARK3 P27448 1/20 0.67
BMPR1A P36894 1/20 0.67
CLK1 P49759 1/20 0.67
GSK3A P49840 1/20 0.67

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 SCHEMBL30976603 0.99 ROCK2 (0.67) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL4764916 0.90 JAK2 (0.60) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL19557786 0.83 ROCK2 (0.68) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL4514350 0.83 ROCK2 (0.70) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL6558139 0.83 ROCK2 (0.54) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL6559985 0.82 ROCK2 (0.60) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL2771542 0.81 ROCK2 (0.69) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL5780357 0.81 ROCK2 (0.63) ROCK2ROCK1PRKD3PRKACAPRKCQ
Y-39983 SCHEMBL29893202 0.80 CIT (1.00) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL17181745 0.80 ROCK2 (0.64) ROCK2ROCK1PRKD3PRKACAPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
US-20240132490-A1 INHIBITORS OF PROTEIN KINASE A BLUEPRINT MEDICINES CORPORATION (US) 2024-04-25 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 (2 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 ROCK2 2/4885ROCK1 1/4885PRKD3 149/4885
US-20240132490-A1 INHIBITORS OF PROTEIN KINASE A PRKCA, MAP3K6, MAP3K1 ROCK2 433/4885ROCK1 346/4885PRKD3 83/4885

“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.