SCHEMBL5451854

SCHEMBL5451854

Clc1cccc(Nc2cc(Cl)nc3ccnn23)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 14/20 0.64
KCNN1 Q92952 2/20 0.54
KCNN2 Q9H2S1 2/20 0.54
PDE10A Q9Y233 2/20 0.50
MAPKAPK2 P49137 2/20 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
SCHEMBL31602095 0.86 KCNN3 (0.52) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL14564416 0.83 KCNN3 (0.56) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13998581 0.82 KCNN3 (0.53) KCNN3KCNN1KCNN2PDE10A
SCHEMBL13998582 0.81 KCNN3 (0.55) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL14427339 0.80 CDK2 (0.53) KCNN3
SCHEMBL5443035 0.79 KCNN3 (0.52) KCNN3KCNN1KCNN2PDE10AMAPKAPK2
SCHEMBL31602141 0.79 KCNN3 (0.45) KCNN3KCNN1KCNN2
SCHEMBL12978807 0.78 PDE10A (0.50) KCNN3PDE10A
SCHEMBL22413264 0.77 CDK2 (0.45) KCNN3MAPKAPK2
SCHEMBL1933380 0.76 ABCB1 (0.46) KCNN3KCNN1KCNN2PDE10AMAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US claimed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP claimed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367681-B2 Pyrazolopyrimidines and related heterocycles as kinase inhibitors CYLENE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS SENHWA BIOSCIENCES, INC. (TW) 2010-12-30 US disclosed
WO-2010135581-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS CYLENE PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP 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 (2 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA KCNN3 3885/4885KCNN1 3422/4885KCNN2 3854/4885
US-20100331314-A1 PYRAZOLOPYRIMIDINES AND RELATED HETEROCYCLES AS KINASE INHIBITORS PIM1, PIM2, PIM3 KCNN3 1339/4885KCNN1 1610/4885KCNN2 1346/4885

“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.