SCHEMBL9900173

SCHEMBL9900173

Nc1nccnc1[C@@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
CHEK1 O14757 4/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
ROCK1 Q13464 2/20 0.40
ROCK2 O75116 1/20 0.40
KCNH2 Q12809 1/20 0.40
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL9900029 1.00 BTK (0.46) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL30673624 0.89 HTR3A (0.38) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL9901829 0.89 HTR3A (0.38) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL9900635 0.89 HTR3A (0.38) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL7705836 0.81 CHRNB4 (0.42)
SCHEMBL28076460 0.78 HRH4 (0.41) ROCK1JAK2JAK1JAK3
SCHEMBL28563124 0.77 TDO2 (0.37) JAK2JAK1JAK3
SCHEMBL3462773 0.76 KDM4E (0.44) KCNH2
SCHEMBL3460358 0.76 KDM4E (0.44) KCNH2
SCHEMBL3460565 0.76 KDM4E (0.44) KCNH2

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 4 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 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 BTK 19/4885CHEK1 1068/4885CCNA2 1027/4885

“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.