SCHEMBL4252489

SCHEMBL4252489

CC(C)(C)n1nc(C=O)cc1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
DAPK3 O43293 1/20 0.37
RIPK2 O43353 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
CYP1A2 P05177 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 1/20 0.37
FGR P09769 1/20 0.37
CYP2C9 P11712 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
PRKACA P17612 1/20 0.37
EPHB2 P29323 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4255356 0.86 P2RY6 (0.40) P2RY6SMN1; SMN2RIPK2ABL1EGFR
SCHEMBL17259299 0.85 KDM4E (0.37) P2RY6SMN1; SMN2KDM4EALDH1A1PTGS2
SCHEMBL17259215 0.84 P2RY6 (0.47) P2RY6SMN1; SMN2ABL1SRCKDM4E
SCHEMBL19259595 0.80 NOTUM (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL17259231 0.78 ALDH1A1 (0.44) SMN1; SMN2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL3222430 0.76 SLC16A3 (0.40) P2RY6SLC16A3SLC16A1MCTS1PTGS2
SCHEMBL18003594 0.74 SMPD1 (0.47) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3261139 0.72 CHRNA7 (0.56) SMN1; SMN2SLC16A3SLC16A1MCTS1RPA1
SCHEMBL25297114 0.71 P2RY6 (0.51) P2RY6KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17203549 0.71 RPA1 (0.61) SMN1; SMN2RPA1HTTLMNANPSR1

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-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
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
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H P2RY6 301/4885SMN1; SMN2 686/4885DAPK3 2329/4885

“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.