SCHEMBL421120

SCHEMBL421120

CN1CCN(c2cncc(-c3ccc4nc5n(c4c3)CCN(C3=CC=C3)CC5)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.41
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 4/20 0.38
CLK2 P49760 3/20 0.38
CLK3 P49761 3/20 0.38
ALK Q9UM73 2/20 0.37
NPM1 P06748 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
RAD52 P43351 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHEK1 O14757 3/20 0.34
HRH4 Q9H3N8 2/20 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
SCHEMBL421258 0.92 CYP11B1 (0.42) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL422574 0.87 HRH4 (0.36) PIM2PIM1ALKNPM1HRH4
SCHEMBL420019 0.84 CYP11B2 (0.38) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL421119 0.81 DYRK1A (0.40) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL421060 0.81 PIK3CD (0.37) PIM2PIM1DYRK1ACYP11B2CHEK1
SCHEMBL420443 0.80 AAK1 (0.38) DYRK1ACLK2ALKNPM1ROCK1
SCHEMBL422485 0.80 KDM4E (0.44) ALKNPM1
SCHEMBL419960 0.79 PIM1 (0.33) PIM2PIM1
SCHEMBL418980 0.76 MAT2A (0.36)
SCHEMBL420669 0.76 AAK1 (0.39) PIM2PIM1ROCK2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PIM2 3195/4885PIM1 3416/4885CSNK2A2 1760/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PIM2 3195/4885PIM1 3416/4885CSNK2A2 1760/4885

“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.