SCHEMBL2167700

SCHEMBL2167700

Nc1nc(-c2cccnc2)cc(N2CCNCC2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.60
HRH3 Q9Y5N1 3/20 0.60
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTR3A P46098 1/20 0.52
PIM1 P11309 2/20 0.51
PIM3 Q86V86 1/20 0.51
PIM2 Q9P1W9 1/20 0.51
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTK2 Q05397 1/20 0.47

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
SCHEMBL27927184 0.85 USP2 (0.74) HRH4HRH3USP2LMNATSHR
SCHEMBL2166851 0.85 HRH4 (0.74) HRH4HRH3HTR3A
SCHEMBL25458537 0.78 CYP3A4 (0.51) HRH4HRH3TSHRHSD17B10PIM1
SCHEMBL27927190 0.77 HRH4 (0.72) HRH4HRH3USP2LMNATSHR
Hydrochloric Acid SCHEMBL30085861 0.77 CYP3A4 (0.50) HRH4HRH3TSHRHSD17B10PIM1
Hydrochloric Acid SCHEMBL28895175 0.77 CYP3A4 (0.50) HRH4HRH3TSHRHSD17B10PIM1
SCHEMBL2166304 0.76 HRH4 (0.59) HRH4HRH3HTR3A
SCHEMBL2166460 0.75 HRH4 (1.00) HRH4HRH3USP2LMNATSHR
SCHEMBL16711108 0.74 HRH4 (0.67) HRH4HRH3USP2LMNATSHR
SCHEMBL30085850 0.74 CYP3A4 (0.55) TSHRHSD17B10HTR3APIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 WO 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 (1 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885USP2 2824/4885

“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.