SCHEMBL9901808

SCHEMBL9901808

[c]1nccc(NC2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 2/20 0.41
HRH4 Q9H3N8 2/20 0.37
IKBKB O14920 1/20 0.37
IRAK4 Q9NWZ3 5/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL9900195 0.88 MALT1 (0.42) HRH3MAPK1CYP1A2CYP2C19ALDH1A1
SCHEMBL11112524 0.83 CTSK (0.46) HRH4ALDH1A1HSD17B10MALT1
SCHEMBL11104329 0.83 CTSK (0.46) HRH4ALDH1A1HSD17B10MALT1
SCHEMBL9900939 0.81 PRKCZ (0.43) HRH3IRAK4BRD4ROCK2ROCK1
SCHEMBL4006284 0.71 HRH3 (0.58) HRH3MAPK1CYP1A2TDP1CYP2C19
SCHEMBL29501368 0.71 HRH3 (0.58) HRH3MAPK1CYP1A2TDP1CYP2C19
SCHEMBL16619789 0.70 HRH4 (0.39) HRH3TDP1HRH4ALDH1A1ALOX15
SCHEMBL1088572 0.69 HRH3 (0.55) HRH3MAPK1CYP1A2TDP1CYP2C19
SCHEMBL12526894 0.69 HRH3 (0.68) HRH3MAPK1CYP1A2TDP1CYP2C19
SCHEMBL5001464 0.68 HRH3 (0.50) HRH3MAPK1CYP1A2TDP1CYP2C19

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 4798/4885MAPK1 30/4885CYP1A2 853/4885

“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.