SCHEMBL5451870

SCHEMBL5451870

CCCC(N)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.68
ROCK1 Q13464 2/20 0.68
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 4/20 0.56
STAT3 P40763 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 3/20 0.52
NT5E P21589 1/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 2/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5473994 0.92 ROCK2 (0.65) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL3687151 0.89 ROCK2 (0.72) ROCK2ROCK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL5466118 0.88 ROCK2 (0.72) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2790408 0.85 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2793935 0.85 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2795043 0.85 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL2792305 0.84 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1LMNA
SCHEMBL6557935 0.83 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL2794136 0.83 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL2789873 0.83 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US claimed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP claimed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO claimed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
US-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
US-RE39592-E1 Extended release growth promoting two component composition INTERVET INC. (NL) 2007-04-24 US disclosed
US-6498153-B1 SUCH AS 17-BETA-ACETOXYESTRA-4,9,11-TRIEN-3-ONE, 17-BETA-PROPIONYLOXY-4-ANDROSTEN-3-ONE, AND/OR 3,4,5,6,9,10,11,12-DECAHYDRO-7,14,16-TRI-HYDROXY-3-METHYL-1H-2-BENZOXACYCLO -TETRADECIN-1-ONE AND A BIODEGRADABLE POLYMER AKZO NOBEL N.V. (NL) 2002-12-24 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 ROCK2 2/4885ROCK1 1/4885KDM4E 569/4885

“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.