SCHEMBL17455925

SCHEMBL17455925

c1cnc(-c2ccncc2)c(OC2CCNCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.50
▸ IKBKB O14920 3/20 0.46
▸ CHUK O15111 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ HTR1A P08908 5/20 0.43
▸ SLC6A2 P23975 5/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ CDC42BPB Q9Y5S2 1/20 0.43
▸ MAPK13 O15264 2/20 0.42
▸ MAPK12 P53778 2/20 0.42
▸ MAPK11 Q15759 2/20 0.42
▸ MAPK14 Q16539 2/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ MAPK9 P45984 1/20 0.42

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
SCHEMBL17456011 0.92 CHRNB2 (0.51) HRH1IKBKBCHUKROCK1CYP11B1
SCHEMBL17456060 0.81 HRH1 (0.77) HRH1IKBKBCHUKROCK1LCK
SCHEMBL17456029 0.81 PDE10A (0.47) HRH1IKBKBCHUKROCK1LCK
Hydrochloric Acid SCHEMBL17455937 0.79 HRH1 (0.74) HRH1IKBKBCHUKROCK1LCK
SCHEMBL21238938 0.77 CYP11B1 (0.42) CYP11B1CYP11B2SLC6A4
SCHEMBL17456018 0.77 CYP11B1 (0.42) HRH1CYP11B1CYP11B2MAPK13MAPK12
SCHEMBL17455921 0.77 CYP11B1 (0.42) HRH1CYP11B1CYP11B2MAPK14
SCHEMBL4515007 0.76 HRH1 (0.51) HRH1IKBKBCHUKROCK1LCK
SCHEMBL4126362 0.76 HRH1 (0.51) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL20764859 0.75 HTR1A (0.54) HRH1HTR1ASLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 HRH1 629/4885IKBKB 2723/4885CHUK 1104/4885

“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.

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