SCHEMBL420024

SCHEMBL420024

c1cncc(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
CYP11B2 P19099 12/20 0.40
CYP11B1 P15538 10/20 0.40
CYP2C9 P11712 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
CYP1A2 P05177 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
SCHEMBL7885360 0.92 KDM2B (0.43) KDM2BHRH3IRAK4CYP11B2CYP11B1
SCHEMBL7891067 0.88 KDM2B (0.39) KDM2BHRH3CYP2C9CYP3A4KCNH2
SCHEMBL420442 0.87 KDM2B (0.40) KDM2BHRH3IRAK4CYP2C9CYP3A4
SCHEMBL10176637 0.85 HRH3 (0.42) HRH3KCNH2
SCHEMBL421059 0.84 HRH3 (0.41) HRH3CYP11B2KCNH2
SCHEMBL21320580 0.83 CYP11B1 (0.47) CYP11B2CYP11B1CYP2C9CYP17A1CYP3A4
SCHEMBL10176636 0.82 KDM2B (0.40) KDM2BHRH3CYP2C9CYP3A4KCNH2
SCHEMBL420214 0.82 IRAK4 (0.44) KDM2BHRH3IRAK4CYP11B2CYP11B1
SCHEMBL420668 0.81 HRH3 (0.45) HRH3CYP11B2CYP11B1KCNH2
SCHEMBL422576 0.81 KDM2B (0.43) KDM2BHRH3CYP2C9

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 KDM2B 1707/4885HRH3 1/4885IRAK4 2343/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885HRH3 1/4885IRAK4 2343/4885

“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.