SCHEMBL689441

SCHEMBL689441

Cc1[nH]c2c(c1C(=O)NCCN1CCN(C)CC1)CCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.53
KDR P35968 12/20 0.53
KIT P10721 10/20 0.53
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
FGFR1 P11362 1/20 0.40
TLK2 Q86UE8 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
SCHEMBL689099 0.94 PDGFRB (0.55) PDGFRBKDRKITL3MBTL1HTR2A
SCHEMBL688767 0.93 PDGFRB (0.57) PDGFRBKDRKITPARP1L3MBTL1
SCHEMBL689002 0.92 PDGFRB (0.58) PDGFRBKDRKITL3MBTL1HTT
SCHEMBL687487 0.89 PDGFRB (0.59) PDGFRBKDRKITFGFR1
SCHEMBL688015 0.87 PDGFRB (0.59) PDGFRBKDRKITL3MBTL1HTR2A
SCHEMBL689152 0.86 PDGFRB (0.58) PDGFRBKDRKITL3MBTL1HTR2A
SCHEMBL689509 0.85 PDGFRB (0.42) PDGFRBKDRKITFGFR1TLK2
SCHEMBL688902 0.84 PDGFRB (0.61) PDGFRBKDRKITL3MBTL1
SCHEMBL689617 0.83 PDGFRB (0.54) PDGFRBKDRKIT
SCHEMBL689166 0.80 KDR (0.56) PDGFRBKDRKIT

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-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-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 PDGFRB 504/4885KDR 665/4885KIT 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.