SCHEMBL9901501

SCHEMBL9901501

COc1c[c]nc(NC2CCCNC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 7/20 0.41
CCNH P51946 7/20 0.41
MNAT1 P51948 7/20 0.41
EHMT2 Q96KQ7 7/20 0.41
IDH2 P48735 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
CCNT1 O60563 6/20 0.37
CDK9 P50750 6/20 0.37
CCNK O75909 5/20 0.37
CDK12 Q9NYV4 5/20 0.37
PRKCZ Q05513 1/20 0.37
CCNE1 P24864 3/20 0.36
CDK2 P24941 3/20 0.36
CHEK1 O14757 1/20 0.36
BRD4 O60885 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
SCHEMBL9900735 0.80 IDH2 (0.40) CDK7CCNHMNAT1IDH2CCNT1
SCHEMBL22895721 0.78 CDK7 (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL28541095 0.78 CDK7 (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL9900288 0.73 EHMT2 (0.42) EHMT2MAPK1OPRK1CHEK1BRD4
SCHEMBL9900191 0.73 CHRNB2 (0.39)
SCHEMBL21604646 0.71 EHMT2 (0.45) CDK7CCNHMNAT1EHMT2IDH2
SCHEMBL21605843 0.71 EHMT2 (0.45) CDK7CCNHMNAT1EHMT2IDH2
SCHEMBL23292398 0.68 CCNK (0.47) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL22895393 0.68 CCNT1 (0.53) CDK7CCNHMNAT1CCNT1CDK9
Hydrochloric Acid SCHEMBL28545061 0.68 CCNT1 (0.53) CDK7CCNHMNAT1CCNT1CDK9

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 8 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

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 CDK7 639/4885CCNH 1763/4885MNAT1 543/4885

“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.