SCHEMBL2385082

SCHEMBL2385082

CN1CCN(c2ccnc(-c3cc(-c4ccc(F)cc4)sc3Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.50
MAPKAPK2 P49137 1/20 0.41
ALK Q9UM73 3/20 0.40
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
KCNH2 Q12809 1/20 0.38
RPS6KA3 P51812 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LDLR P01130 1/20 0.38
KIT P10721 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ACVR1 Q04771 1/20 0.37
CDK4 P11802 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
SCHEMBL2385087 0.81 HRH4 (0.55) HRH4MEN1GLAGAAKMT2A
SCHEMBL2385052 0.79 HRH4 (0.53) HRH4MEN1GLAGAAKMT2A
SCHEMBL2385968 0.78 HRH4 (0.56) HRH4ALKMEN1GLAGAA
SCHEMBL2384565 0.77 HRH4 (0.56) HRH4MAPKAPK2ALKLDLRKIT
SCHEMBL2384620 0.75 HRH4 (0.56) HRH4MEN1GLAGAAKMT2A
SCHEMBL2384254 0.74 HRH4 (0.58) HRH4L3MBTL1MEN1GLAGAA
SCHEMBL2384464 0.73 HRH4 (0.54) HRH4MEN1GLAGAAKMT2A
SCHEMBL2385613 0.73 HRH4 (0.57) HRH4MAPKAPK2ALKKCNH2RPS6KA3
SCHEMBL13524925 0.73 CHEK1 (0.61)
SCHEMBL2383926 0.72 HRH4 (0.52) HRH4MEN1GLAGAAKMT2A

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
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
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 1/4885MAPKAPK2 4356/4885ALK 761/4885

“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.