SCHEMBL2364564

SCHEMBL2364564

CC(C)(C)OC(=O)c1c[nH]c(-c2ccc(-n3c(N4CCN(C(=O)OC(C)(C)C)CC4)c(C=O)c4ccccc43)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALK Q9UM73 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CA P42336 1/20 0.36
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
PDK2 Q15119 1/20 0.36
GBA1 P04062 2/20 0.36
CNR2 P34972 2/20 0.36
NAMPT P43490 1/20 0.35
RET P07949 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2364562 0.87 CHRM2 (0.41) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2347655 0.83 CHRM2 (0.53) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2343385 0.81 CHRM2 (0.46) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2347320 0.81 CHRM2 (0.49) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2345345 0.81 CHRM2 (0.49) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2345580 0.80 EGLN2 (0.48) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2340499 0.79 CHRM2 (0.44) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2345946 0.79 CHRM2 (0.49) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL2364563 0.78 CHRM2 (0.40) KITCHRM2CHRM4CHRM1CHRM3
SCHEMBL8292306 0.76 CHRM2 (0.44) KITCHRM2CHRM4CHRM1CHRM3

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-8008491-B2 poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders AVENTIS PHARMACEUTICALS, INC. (US) 2011-08-30 US disclosed
US-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2008-10-16 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-20080255350-A1 SUBSTITUTED AZA-INDOLES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP11, PARP15 KIT 618/4885CHRM2 2656/4885CHRM4 3941/4885

“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.