SCHEMBL9900635

SCHEMBL9900635

Nc1nccnc1[C@H]1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.38
BTK Q06187 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA1 P02708 1/20 0.34
ESR1 P03372 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRND Q07001 1/20 0.34
CHRNA2 Q15822 1/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 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
SCHEMBL30673624 1.00 HTR3A (0.38) HTR3ABTKHRH4HRH3CHRNB4
SCHEMBL9901829 1.00 HTR3A (0.38) HTR3ABTKHRH4HRH3CHRNB4
SCHEMBL9900173 0.89 BTK (0.46) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL9900029 0.89 BTK (0.46) BTKCHEK1CCNA2CDK2CCNA1
SCHEMBL28076460 0.89 HRH4 (0.41) HRH4HRH3ROCK1MKNK1MKNK2
SCHEMBL7705836 0.84 CHRNB4 (0.42) HTR3AHRH3CHRNB4CHRNA3CHRNA1
SCHEMBL2485846 0.78 HTR3A (0.38) HTR3ACHRNB4CHRNA3CHRNA1ESR1
SCHEMBL9900636 0.78 NEK2 (0.34)
SCHEMBL30154873 0.78 NEK2 (0.34)
SCHEMBL8844155 0.77 HTR1A (0.39) HTR3A

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 HTR3A 3655/4885BTK 19/4885HRH4 4771/4885

“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.