SCHEMBL5458441

SCHEMBL5458441

COc1ccc(CNc2cc(Cl)nc3c(C)cnn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 5/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.45
KCNN1 Q92952 1/20 0.44
KCNN2 Q9H2S1 1/20 0.44
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PDE2A O00408 3/20 0.43
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL5458766 0.88 MEN1 (0.58) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL23152045 0.87 GSK3B (0.48) KCNN3MEN1KMT2AKDM4EKCNN1
SCHEMBL33378009 0.85 CDK7 (0.52) KCNN3CCNE1CDK2PDE2ADYRK1A
SCHEMBL30349310 0.83 CCNA2 (0.54) KCNN3KDM4ECDK2NPC1RAB9A
SCHEMBL5460455 0.82 CDK2 (0.58) MEN1KMT2AKDM4ECCNE1CDK2
SCHEMBL5456487 0.80 KCNN3 (0.73) KCNN3KDM4EKCNN1KCNN2
SCHEMBL12048517 0.78 CDK2 (0.59) KCNN3MEN1KMT2AKCNN1KCNN2
SCHEMBL5456353 0.78 KCNN3 (0.52) KCNN3MEN1KMT2AKDM4EKCNN1
SCHEMBL13780249 0.75 KCNN3 (0.46) KCNN3MEN1KMT2AKDM4ENPC1
SCHEMBL13985794 0.74 CDK7 (0.54) KCNN3KCNN1KCNN2CCNE1CDK2

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
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-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 (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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA KCNN3 3885/4885MEN1 4094/4885KMT2A 2779/4885

“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.