SCHEMBL687485

SCHEMBL687485

CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCCC2=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.61
PDGFRB P09619 15/20 0.61
KIT P10721 13/20 0.59
RET P07949 1/20 0.58
FLT1 P17948 1/20 0.58
FLT4 P35916 1/20 0.58
FLT3 P36888 1/20 0.58
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.48
PRKAA2 P54646 3/20 0.44
PRKAA1 Q13131 3/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL689986 0.93 KDR (0.59) KDRPDGFRBKITRETFLT1
SCHEMBL689166 0.88 KDR (0.56) KDRPDGFRBKITRETFLT1
SCHEMBL689617 0.84 PDGFRB (0.54) KDRPDGFRBKITRETFLT1
SCHEMBL689469 0.83 PDGFRB (0.50) KDRPDGFRBKITRETFLT1
SCHEMBL689038 0.82 PDGFRB (0.60) KDRPDGFRBKITRETFLT1
SCHEMBL10112899 0.81 PDGFRB (0.43) KDRPDGFRBKITRETFLT1
SCHEMBL688767 0.80 PDGFRB (0.57) KDRPDGFRBKITKDM4EFGFR1
SCHEMBL689002 0.79 PDGFRB (0.58) KDRPDGFRBKITKDM4EALDH1A1
SCHEMBL689441 0.78 PDGFRB (0.53) KDRPDGFRBKITFGFR1
SCHEMBL12056462 0.77 PDGFRB (1.00) KDRPDGFRBKITRETFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123649-B1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF JIANGSU SIMCERE PHARMACEUTICAL R & D CO LTD (CN) 2012-02-29 EP disclosed
US-8084621-B2 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) 2011-12-27 US disclosed
US-8084621-B2 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) 2011-12-27 US disclosed
US-8084621-B2 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) 2011-12-27 US disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
EP-2123649-A1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF Jiangsu Simcere Pharmaceutical R&D Co., Ltd. (CN) 2009-11-25 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-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof PTK2B, DMPK, STK25 KDR 665/4885PDGFRB 504/4885KIT 324/4885

“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.