SCHEMBL7117882

SCHEMBL7117882

Cc1[nH]c(C=O)c(C)c1CCC(=O)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MET P08581 2/20 0.40
PLK4 O00444 1/20 0.40
RIOK3 O14730 1/20 0.40
CASK O14936 1/20 0.40
GAK O14976 1/20 0.40
DCLK1 O15075 1/20 0.40
EPHB6 O15197 1/20 0.40
MAP3K13 O43283 1/20 0.40
MAP3K7 O43318 1/20 0.40
NUAK1 O60285 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
ULK1 O75385 1/20 0.40
RPS6KA5 O75582 1/20 0.40
STK16 O75716 1/20 0.40
PAK3 O75914 1/20 0.40
STK17B O94768 1/20 0.40
STK10 O94804 1/20 0.40
CDK14 O94921 1/20 0.40

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
SCHEMBL7117886 1.00 TDP1 (0.40) TDP1METPLK4RIOK3CASK
SCHEMBL7117403 0.89 OPRK1 (0.43) TDP1BLMOPRK1OPRD1NPC1
SCHEMBL7117397 0.89 OPRK1 (0.43) TDP1BLMOPRK1OPRD1NPC1
SCHEMBL7125726 0.83 MET (0.49) TDP1METPLK4RIOK3CASK
SCHEMBL7125733 0.83 MET (0.49) TDP1METPLK4RIOK3CASK
SCHEMBL6220089 0.78 SPR (0.41) TDP1NPC1
SCHEMBL6089855 0.72 HRH3 (0.42) PDGFRBFGFR1KDRMEN1KMT2A
SCHEMBL6092029 0.71 PDGFRB (0.46) PDGFRBFGFR1KDRKMT2AHRH3
SCHEMBL6321714 0.71 LMNA (0.41) METPLK4GAKJAK2ROCK2
SCHEMBL6220131 0.70 MEN1 (0.46) FLT3AURKBMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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 (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-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 TDP1 3667/4885MET 151/4885PLK4 191/4885

“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.