SCHEMBL4476413

SCHEMBL4476413

Cc1ccc(-c2ccnn2C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.48
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
FLT3 P36888 2/20 0.38
PLK4 O00444 1/20 0.38
RIPK2 O43353 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19205767 0.83 DRD1 (0.47) DRD1KDM5AKDM4CKDM5BPOLB
SCHEMBL4483738 0.83 DRD1 (0.47) DRD1HPGDALDH1A1KDM4ERIPK2
SCHEMBL13045975 0.82 DRD1 (0.46) DRD1KMT2AMEN1KDM5AKDM4C
SCHEMBL19641997 0.75 CACNA1B (0.39) KMT2AMEN1KDM4AKDM5AKDM4C
SCHEMBL20939498 0.75 DRD1 (0.33) DRD1KMT2AMEN1KDM4AKDM5A
SCHEMBL3447723 0.74 CYP1A2 (0.54) DRD1KMT2AMEN1KDM4AKDM5A
SCHEMBL17086629 0.71 MAPT (0.54) KMT2AMEN1KDM4AKDM5AKDM4C
SCHEMBL2930358 0.70 ALDH1A1 (0.35) DRD1KDM5AKDM4CKDM5BHPGD
SCHEMBL25676865 0.69 NR3C2 (0.44) KMT2AMEN1KDM4AKDM5AKDM4C
SCHEMBL23401171 0.69 ALDH1A1 (0.42) KMT2AMEN1KDM5AKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H DRD1 1132/4885KMT2A 4312/4885MEN1 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.