SCHEMBL2105823

SCHEMBL2105823

Cc1cnc(N)c([N+](=O)[O-])c1N[C@H]1CCCC[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
NPC1 O15118 1/20 0.43
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
CDK2 P24941 1/20 0.39
KMT2A Q03164 7/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 5/20 0.37
ATM Q13315 2/20 0.36
XBP1 P17861 1/20 0.36
RPS6KB1 P23443 1/20 0.34
S1PR1 P21453 1/20 0.34
CYP3A4 P08684 1/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2105860 0.80 JAK3 (0.42) HTTJAK3JAK2JAK1KMT2A
SCHEMBL29838584 0.74 MAPT (0.47) HTTNPC1KMT2AMAPTMEN1
SCHEMBL16243311 0.72 CDK2 (0.37) HTTNPC1CDK2KMT2AMEN1
SCHEMBL16260065 0.68 AURKB (0.47) JAK3JAK2CDK2RPS6KB1GSK3B
SCHEMBL10415524 0.67 ALDH1A1 (0.46) HTTNPC1KMT2AMAPTMEN1
SCHEMBL29838626 0.67 MAPT (0.44) HTTNPC1KMT2AMAPTLMNA
SCHEMBL28191633 0.67 MAPT (0.44) HTTNPC1KMT2AMAPTLMNA
SCHEMBL27542489 0.66 KMT2A (0.44) HTTNPC1JAK3JAK2JAK1
SCHEMBL30815878 0.66 KAT2B (0.46) HTTNPC1CDK2KMT2A
SCHEMBL17967818 0.65 HTT (0.40) HTTNPC1JAK3JAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 HTT 2735/4885NPC1 4165/4885JAK3 1/4885

“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.