SCHEMBL17456029

SCHEMBL17456029

c1cc(-c2nccnc2OC2CCNCC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.47
▸ IKBKB O14920 3/20 0.43
▸ PRKCI P41743 2/20 0.42
▸ MAPK11 Q15759 3/20 0.41
▸ MAPK14 Q16539 3/20 0.41
▸ MAPK13 O15264 2/20 0.41
▸ MAPK12 P53778 2/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ CHUK O15111 2/20 0.41
▸ ROCK1 Q13464 2/20 0.40
▸ LCK P06239 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 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
Hydrochloric Acid SCHEMBL17456014 0.90 PRKCI (0.50) PDE10APRKCICHUKROCK1ROCK2
SCHEMBL7710439 0.83 PDE10A (0.53) PDE10ALRRK2
Hydrochloric Acid SCHEMBL15134941 0.82 PDE10A (0.52) PDE10ALRRK2
SCHEMBL17455925 0.81 HRH1 (0.50) IKBKBMAPK11MAPK14MAPK13MAPK12
Hydrochloric Acid SCHEMBL5318540 0.77 PRKCI (0.45) IKBKBPRKCIMAPK11MAPK14MAPK13
SCHEMBL17455931 0.76 CLK2 (0.39) PDE10AMAPK11MAPK14MAPK13MAPK12
SCHEMBL21238828 0.75 PDE10A (0.50) PDE10ALRRK2
SCHEMBL187501 0.74 HRH1 (0.66) IKBKBHRH1CHUKROCK1LCK
SCHEMBL2325238 0.74 ROCK1 (0.43) IKBKBPRKCICHUKROCK1LCK
SCHEMBL4111572 0.73 HTR1A (0.55) PDE10AHRH1

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 PDE10A 1444/4885IKBKB 2723/4885PRKCI 4278/4885

“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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