SCHEMBL9900288

SCHEMBL9900288

COc1cc(NC2CCCNC2)n[c]n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 7/20 0.42
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
CHEK1 O14757 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
IL1B P01584 2/20 0.38
NRAS P01111 2/20 0.38
HRH2 P25021 1/20 0.38
NLRP3 Q96P20 1/20 0.38
FLT3 P36888 2/20 0.37
BRD4 O60885 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 2/20 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
SCHEMBL9901234 0.80 IL1B (0.42) CHEK1IL1BNLRP3BRD4
SCHEMBL9901501 0.73 CDK7 (0.41) EHMT2MAPK1OPRK1CHEK1BRD4
SCHEMBL9900939 0.72 PRKCZ (0.43) HRH3IL1BNLRP3FLT3BRD4
SCHEMBL21605843 0.72 EHMT2 (0.45) EHMT2MAPK1OPRK1CHEK1BRD4
SCHEMBL21604646 0.72 EHMT2 (0.45) EHMT2MAPK1OPRK1CHEK1BRD4
SCHEMBL18937691 0.69 CHEK1 (0.48) MAPK1OPRK1CHEK1NRASFLT3
SCHEMBL31291913 0.69 PABPC1 (0.47) EHMT2MAPK1OPRK1CHEK1
SCHEMBL22895721 0.68 CDK7 (0.49) BRD4
SCHEMBL28541095 0.68 CDK7 (0.49) BRD4
SCHEMBL9900746 0.67 PRKCZ (0.43) FLT3

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 EHMT2 1383/4885MAPK1 30/4885OPRK1 1888/4885

“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.