SCHEMBL1643083

SCHEMBL1643083

CN1CCN(C(=O)n2[c]cc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
BCHE P06276 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HRH4 Q9H3N8 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
GRM5 P41594 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5788693 0.74 NOTUM (0.47) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL1642678 0.72 DAO (0.39) HPGDTSHRALDH1A1KDM4EHSD17B10
SCHEMBL4919212 0.70 L3MBTL1 (0.41) TSHRBCHEALDH1A1KDM4EHSD17B10
SCHEMBL9587424 0.70 BCHE (0.37) HPGDBCHEALDH1A1KDM4EHSD17B10
SCHEMBL20138330 0.68 RAB9A (0.50) HPGDTSHRALDH1A1SIGMAR1KMT2A
SCHEMBL289936 0.67 NR1H2 (0.42) BCHEL3MBTL1
SCHEMBL6141961 0.66 DRD2 (0.60) HPGDTSHRHSP90AA1HRH4ALDH1A1
SCHEMBL427310 0.65 MGLL (0.71)
SCHEMBL5470285 0.65 GAA (0.60) BCHEALDH1A1KMT2ALMNARAB9A
SCHEMBL201716 0.65 POLB (0.43) TSHRBCHEALDH1A1KDM4EHSD17B10

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
EP-2671876-A2 Pyrazine derivatives and their use as protein kinase inhbitors Akinion Pharmaceuticals AB (SE) 2013-12-11 EP disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 US disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 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 (2 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-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 HPGD 4601/4885TSHR 2505/4885BCHE 3244/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 HPGD 4601/4885TSHR 2505/4885BCHE 3244/4885

“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.