SCHEMBL2385662

SCHEMBL2385662

CN1CCN(c2ccnc(-c3cccc4ccccc34)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.55
ALK Q9UM73 1/20 0.52
HTR3A P46098 2/20 0.49
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2C P28335 2/20 0.47
MET P08581 1/20 0.47
METAP1 P53582 1/20 0.46
HTR6 P50406 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
FLT3 P36888 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL2383417 0.82 CYP1A2 (0.63) HRH4HTR3ACYP1A2ALOX15CYP2C19
SCHEMBL2386172 0.82 HRH4 (0.56) HRH4HTR3ACYP1A2ALOX15CYP2C19
SCHEMBL2386270 0.81 HRH4 (0.47) HRH4METMETAP1CCNE1CDK2
SCHEMBL6027496 0.80 HRH4 (0.56) HRH4HTR3AALOX15METAP1HTR1A
SCHEMBL2383926 0.79 HRH4 (0.52) HRH4CYP1A2ALOX15CYP2C19MET
SCHEMBL2384574 0.79 HRH4 (0.55) HRH4HTR3AMETMETAP1HTR1A
SCHEMBL2384160 0.77 HRH4 (0.68) HRH4HTR3A
SCHEMBL2383241 0.77 HTR3A (0.61) HRH4HTR3AMET
SCHEMBL30775401 0.76 HRH4 (0.49) HRH4HTR3ACYP1A2ALOX15CYP2C19
SCHEMBL2385960 0.76 HRH4 (0.61) HRH4ALKHTR3AHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO claimed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US claimed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 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 (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-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885ALK 761/4885HTR3A 14/4885

“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.