SCHEMBL9900071

SCHEMBL9900071

[c]1cncc(OC2CCCNC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
ROCK1 Q13464 5/20 0.45
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ROCK2 O75116 3/20 0.39
KCNH2 Q12809 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
TYK2 P29597 1/20 0.39
CDC42BPB Q9Y5S2 2/20 0.38
CDC42BPA Q5VT25 1/20 0.38
MKNK1 Q9BUB5 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
PRKCZ Q05513 1/20 0.35

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
SCHEMBL9899883 0.82 PDGFRB (0.36)
SCHEMBL9900290 0.81 HRH1 (0.40) CHRNB2CHRNA4ROCK1ROCK2IKBKB
SCHEMBL9900334 0.71 CHRNB2 (0.49) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL3728442 0.71 CHRNB2 (0.46) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL7105306 0.70 CHRNB2 (0.68) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL26665874 0.69 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL26668368 0.69 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL9900746 0.68 PRKCZ (0.43) ROCK1ROCK2CDC42BPBPRKCZ
SCHEMBL20145226 0.68 CHRNB2 (0.49) CHRNB2CHRNA4ROCK1CHRM2CHRM1
SCHEMBL20898791 0.68 CHRNB2 (0.46) CHRNB2CHRNA4ROCK1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US claimed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US claimed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP claimed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US claimed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
EP-2796456-A1 Bicyclic compounds as Pim inhibitors Amgen Inc. (US) 2014-10-29 EP disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO 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-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 CHRNB2 4841/4885CHRNA4 4839/4885ROCK1 431/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 CHRNB2 4878/4885CHRNA4 4880/4885ROCK1 538/4885

“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.