SCHEMBL7885451

SCHEMBL7885451

NCCc1nc2cc(Cl)ccc2n1CCO

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
BACE1 P56817 2/20 0.56
NUDT1 P36639 1/20 0.56
JAK2 O60674 4/20 0.55
JAK1 P23458 4/20 0.55
TYK2 P29597 4/20 0.55
JAK3 P52333 4/20 0.55
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.46
PDE10A Q9Y233 1/20 0.42
TBXA2R P21731 2/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 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
SCHEMBL13259209 0.87 KMT2A (0.63) KMT2ABACE1NUDT1JAK2JAK1
Hydrochloric Acid SCHEMBL11385604 0.86 PDE10A (0.50) KMT2ABACE1NUDT1JAK2JAK1
Hydrochloric Acid SCHEMBL11385601 0.86 PDE10A (0.50) KMT2ABACE1NUDT1JAK2JAK1
SCHEMBL10177399 0.86 JAK2 (0.52) KMT2ABACE1NUDT1JAK2JAK1
SCHEMBL10176976 0.86 KMT2A (0.66) KMT2ABACE1NUDT1KDM4ETBXA2R
SCHEMBL27866490 0.81 KMT2A (0.53) KMT2ABACE1NUDT1JAK2JAK1
SCHEMBL14736424 0.80 MAPT (0.49) KMT2ABACE1NUDT1JAK2JAK1
Hydrochloric Acid SCHEMBL14736908 0.78 MAPT (0.48) KMT2ABACE1NUDT1JAK2JAK1
SCHEMBL7260548 0.77 KMT2A (1.00) KMT2ABACE1NUDT1KDM4EHTT
SCHEMBL10177398 0.75 MAPT (0.51) KMT2ABACE1NUDT1TBXA2RHDAC1

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 9 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-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
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US 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
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 KMT2A 453/4885BACE1 655/4885NUDT1 1268/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KMT2A 453/4885BACE1 655/4885NUDT1 1268/4885

“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.