SCHEMBL6526402

SCHEMBL6526402

Nc1cnccc1N1CCCC(O)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
CDC42BPB Q9Y5S2 1/20 0.51
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
SMPD3 Q9NY59 2/20 0.48
MAPT P10636 1/20 0.45
PIM3 Q86V86 9/20 0.44
PIM2 Q9P1W9 9/20 0.44
PIM1 P11309 7/20 0.44
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PBK Q96KB5 1/20 0.39

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
SCHEMBL6526399 1.00 ROCK2 (0.51) ROCK2ROCK1CDC42BPBSMARCA2SMARCA4
SCHEMBL11908053 0.84 PIM2 (0.56) ROCK2ROCK1CDC42BPBPIM3PIM2
SCHEMBL11906992 0.84 PIM2 (0.56) ROCK2ROCK1CDC42BPBPIM3PIM2
SCHEMBL4398719 0.82 MAPT (0.45) ROCK2ROCK1CDC42BPBMAPTPIM3
SCHEMBL19943253 0.82 KDM4E (0.57) MAPTPIM3PIM2PIM1
SCHEMBL15783900 0.81 MAPT (0.52) ROCK2ROCK1CDC42BPBSMARCA2SMARCA4
SCHEMBL28561328 0.81 PBK (0.47) MAPTPIM3PIM2PIM1PBK
SCHEMBL21013405 0.79 MAPT (0.45) ROCK2ROCK1CDC42BPBMAPTPIM3
SCHEMBL15783997 0.79 ROCK2 (0.54) ROCK2ROCK1CDC42BPBMAPTPIM3
SCHEMBL11984697 0.79 ROCK2 (0.48) ROCK2ROCK1CDC42BPBSMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475659-B1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2015-10-28 EP disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 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 (3 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ROCK2 519/4885ROCK1 453/4885CDC42BPB 297/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ROCK2 519/4885ROCK1 453/4885CDC42BPB 297/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 ROCK2 492/4885ROCK1 421/4885CDC42BPB 671/4885

“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.