SCHEMBL17181745

SCHEMBL17181745

NCCc1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.64
ROCK1 Q13464 3/20 0.64
PRKD3 O94806 2/20 0.64
PRKACA P17612 2/20 0.64
PRKCQ Q04759 2/20 0.64
PRKCD Q05655 2/20 0.64
PKN2 Q16513 2/20 0.64
PRKD2 Q9BZL6 2/20 0.64
CIT O14578 1/20 0.64
MAP4K4 O95819 1/20 0.64
PRKCB P05771 1/20 0.64
PRKCA P17252 1/20 0.64
CSNK2A2 P19784 1/20 0.64
MARK3 P27448 1/20 0.64
BMPR1A P36894 1/20 0.64
CSNK1A1 P48729 1/20 0.64
CLK1 P49759 1/20 0.64
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
CDK9 P50750 1/20 0.64

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
SCHEMBL5465467 0.84 ROCK2 (0.57) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL5463083 0.82 ROCK2 (0.55) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL5470005 0.82 ROCK2 (0.55) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL6559985 0.82 ROCK2 (0.60) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL6558015 0.81 ROCK2 (0.59) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL19557786 0.81 ROCK2 (0.68) ROCK2ROCK1PRKD3PRKACAPRKCQ
Hydrochloric Acid SCHEMBL8080144 0.81 ROCK2 (0.44) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL4772895 0.80 ROCK2 (0.67) ROCK2ROCK1PRKD3PRKACAPRKCQ
SCHEMBL6560222 0.80 ROCK2 (0.60) ROCK2ROCK1PRKD3PRKACAPRKCQ
Hydrochloric Acid SCHEMBL30976603 0.79 ROCK2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 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-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION MYADM, CD14, CD68 ROCK2 2937/4885ROCK1 3491/4885PRKD3 2181/4885

“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.