SCHEMBL419364

SCHEMBL419364

C1=CC(N2CCc3nc4ccc(-c5c[nH]c6ncccc56)cc4n3CC2)=C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.43
DYRK1B Q9Y463 4/20 0.43
CDC7 O00311 5/20 0.40
CDK2 P24941 4/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3B P49841 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CCNT1 O60563 3/20 0.39
CCNA2 P20248 3/20 0.39
CDK9 P50750 3/20 0.39
CAMKK1 Q8N5S9 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37

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
SCHEMBL422577 0.81 TGFBR1 (0.36) PIM1IRAK4
SCHEMBL419363 0.80 DYRK1A (0.47) DYRK1ADYRK1BCDC7CDK2ROCK2
SCHEMBL420025 0.79 CYP3A4 (0.39) CLK4
SCHEMBL421060 0.78 PIK3CD (0.37) DYRK1APIM1GSK3B
SCHEMBL420669 0.75 AAK1 (0.39) ROCK2PIM1
SCHEMBL421661 0.74 NPC1 (0.36) CDK2
SCHEMBL7886563 0.73 DYRK1A (0.45) DYRK1ADYRK1BCDC7CDK2ROCK2
SCHEMBL419960 0.72 PIM1 (0.33) PIM1
SCHEMBL421175 0.72 DYRK1A (0.40) DYRK1A
SCHEMBL422759 0.72 NOS3 (0.31)

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 DYRK1A 996/4885DYRK1B 1099/4885CDC7 2277/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 DYRK1A 996/4885DYRK1B 1099/4885CDC7 2277/4885

“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.