SCHEMBL17456011

SCHEMBL17456011

c1cnc(-c2ccncc2)c(OC2CCNC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.51
▸ CHRNA4 P43681 2/20 0.51
▸ HTR1A P08908 3/20 0.51
▸ SLC6A2 P23975 3/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ PRKCZ Q05513 1/20 0.44
▸ CHUK O15111 2/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ PRKX P51817 1/20 0.43
▸ PRKG2 Q13237 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43

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
SCHEMBL17455925 0.92 HRH1 (0.50) CHRNB2CHRNA4HTR1ASLC6A2MKNK1
Hydrochloric Acid SCHEMBL17456014 0.81 PRKCI (0.50) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL7464367 0.81 HTR1A (0.48) CHRNB2CHRNA4HTR1ASLC6A2MKNK1
SCHEMBL7462776 0.81 HTR1A (0.48) CHRNB2CHRNA4HTR1ASLC6A2MKNK1
Hydrochloric Acid SCHEMBL7458828 0.80 HTR1A (0.47) CHRNB2CHRNA4HTR1ASLC6A2MKNK1
Hydrochloric Acid SCHEMBL7461585 0.80 HTR1A (0.47) CHRNB2CHRNA4HTR1ASLC6A2MKNK1
SCHEMBL3259718 0.77 HTR1A (0.58) CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL3718465 0.75 HTR1A (0.53) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL3717239 0.75 HTR1A (0.53) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL19703314 0.75 HTR1A (0.53) CHRNB2CHRNA4HTR1ASLC6A2PRKCI

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 CHRNB2 444/4885CHRNA4 201/4885HTR1A 1058/4885

“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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