SCHEMBL588318

SCHEMBL588318

COC(=O)C(=O)c1cn(C2CCN(Cc3ccccn3)CC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCG P05129 2/20 0.55
PRKCB P05771 2/20 0.55
PRKCA P17252 2/20 0.55
PRKCE Q02156 2/20 0.55
PIP5K1C O60331 1/20 0.55
RPS6KA5 O75582 1/20 0.55
RPS6KA4 O75676 1/20 0.55
STK16 O75716 1/20 0.55
PAK3 O75914 1/20 0.55
CDK14 O94921 1/20 0.55
MET P08581 1/20 0.55
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
PIM1 P11309 1/20 0.55
FGFR1 P11362 1/20 0.55
PRKACA P17612 1/20 0.55
PRKACB P22694 1/20 0.55
RPS6KB1 P23443 1/20 0.55
PRKCH P24723 1/20 0.55
CDK2 P24941 1/20 0.55

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
SCHEMBL13915330 0.87 PRKCG (0.55) PRKCGPRKCBPRKCAPRKCEPIP5K1C
SCHEMBL4989734 0.85 HTR6 (0.55) PRKCGPRKCBPRKCAPRKCEPRKCH
SCHEMBL14555078 0.79 PRKCG (0.62) PRKCGPRKCBPRKCAPRKCEPIP5K1C
SCHEMBL14224630 0.76 PRKCG (0.56) PRKCGPRKCBPRKCAPRKCEPIP5K1C
SCHEMBL30958439 0.74 PRKCG (0.57) PRKCGPRKCBPRKCAPRKCEPIM1
Hydrochloric Acid SCHEMBL29784988 0.73 PRKCG (0.77) PRKCGPRKCBPRKCAPRKCEPIP5K1C
SCHEMBL27616615 0.73 HTR6 (0.60) PRKCGPRKCBPRKCAPRKCEPRKCH
SCHEMBL6438378 0.72 L3MBTL1 (0.47) CDK9L3MBTL1KDM4EPOLBCYP2D6
SCHEMBL24776887 0.72 PRKCG (0.46) PRKCGPRKCBPRKCAPRKCEPIP5K1C
Enzastaurin SCHEMBL678748 0.71 PRKCG (1.00) PRKCGPRKCBPRKCAPRKCEPIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114901-B2 Crystalline 2,5-dione-3-(1-methyl-1H-indol-3-yl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-indol-3-yl]-1H-pyrrole mono-hydrochloride ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20070270465-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4-[1-(PYRIDIN-2-YLMETHYL) PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE BUSH JULIE K 2007-11-22 US disclosed
EP-1523313-B1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4- 1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL -1H-INDOL-3-YL -1H-PYRROLE MONO-HYDROCHLORIDE LILLY CO ELI (US) 2007-11-21 EP disclosed
US-20050288332-A1 Crystalline 2,5-dione-3-(1-methyl-1h-indol-3-yl)-4-[1-(pyridin-2ylmethyl)piperidin-4-yl]-1h- pyrrole mono-hydrochloride DENOVO BIOPHARMA LLC 2005-12-29 US disclosed
EP-1523313-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4- 1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2005-04-20 EP disclosed
WO-2004006928-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2004-01-22 WO 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-20050288332-A1 Crystalline 2,5-dione-3-(1-methyl-1h-indol-3-yl)-4-[1-(pyridin-2ylmethyl)piperidin-4-yl]-1h- pyrrole mono-hydrochloride IDO1, PYCR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PRKCG 2498/4885PRKCB 2825/4885PRKCA 2116/4885
US-20070270465-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4-[1-(PYRIDIN-2-YLMETHYL) PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE IDO1, MKI67, PYCR1 PRKCG 2508/4885PRKCB 2859/4885PRKCA 2275/4885

“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.