SCHEMBL11984697

SCHEMBL11984697

O=Nc1cnccc1N1CCCC(O)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
CDC42BPB Q9Y5S2 1/20 0.48
PIM1 P11309 7/20 0.41
PIM3 Q86V86 4/20 0.41
PIM2 Q9P1W9 4/20 0.41
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
LMNA P02545 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMPD3 Q9NY59 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
PBK Q96KB5 1/20 0.36

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
SCHEMBL28232709 0.79 MAPT (0.42) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL6526399 0.79 ROCK2 (0.51) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL6526402 0.79 ROCK2 (0.51) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL4436851 0.76 LMNA (0.59) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL4435478 0.76 LMNA (0.59) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL4435482 0.76 LMNA (0.59) ROCK2ROCK1CDC42BPBPIM1PIM3
SCHEMBL30668708 0.71 CHKA (0.57) ROCK2ROCK1CDC42BPBSMARCA2SMARCA4
SCHEMBL24746251 0.71 CHRNB2 (0.55)
SCHEMBL5408335 0.71 CHRNB2 (0.55)
SCHEMBL29505484 0.71 CHRNB2 (0.55)

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-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ROCK2 519/4885ROCK1 453/4885CDC42BPB 297/4885

“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.