SCHEMBL9900092

SCHEMBL9900092

[c]1cncc(NC2CCNCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.39
MAPK1 P28482 1/20 0.39
DYRK1A Q13627 3/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
CYP1A2 P05177 4/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 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
SCHEMBL9901194 0.90 HRH3 (0.42) HRH3IRAK4HRH4FLT3IRAK1
SCHEMBL9900256 0.88 HCAR3 (0.36) CYP1A2CYP3A4ALOX15HSD17B10CYP2C19
SCHEMBL12614867 0.84 MEN1 (0.41) ALDH1A1HSD17B10HRH4MEN1KMT2A
SCHEMBL9901216 0.83 MEN1 (0.44) ALDH1A1MEN1KMT2ATDP1PDGFRB
SCHEMBL9900746 0.81 PRKCZ (0.43) IRAK4ROCK2ROCK1CDC42BPBLCK
SCHEMBL13326729 0.72 HRH3 (0.51) HRH3IRAK4MAPK1DYRK1ACLK2
SCHEMBL29501368 0.68 HRH3 (0.58) HRH3IRAK4MAPK1CYP1A2ALDH1A1
SCHEMBL4006284 0.68 HRH3 (0.58) HRH3IRAK4MAPK1CYP1A2ALDH1A1
SCHEMBL9901808 0.67 HRH3 (0.53) HRH3IRAK4MAPK1CYP1A2ALDH1A1
SCHEMBL9900290 0.67 HRH1 (0.40) PIM1PIM2ROCK2ROCK1CDC42BPB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US claimed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP claimed
WO-2012078777-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-06-14 WO claimed
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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
EP-2649065-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2013-10-16 EP 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 (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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 HRH3 4798/4885IRAK4 368/4885MAPK1 30/4885

“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.