SCHEMBL689152

SCHEMBL689152

Cc1[nH]c2c(c1C(=O)NCCCN1CCCCC1)CCCC2=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 5/20 0.58
KIT P10721 5/20 0.58
KDR P35968 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
HTR4 Q13639 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
SLC6A4 P31645 2/20 0.42
SMYD2 Q9NRG4 1/20 0.41

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
SCHEMBL688015 0.99 PDGFRB (0.59) PDGFRBKITKDRL3MBTL1KMT2A
SCHEMBL689002 0.94 PDGFRB (0.58) PDGFRBKITKDRL3MBTL1KMT2A
SCHEMBL688767 0.93 PDGFRB (0.57) PDGFRBKITKDRL3MBTL1KMT2A
SCHEMBL689099 0.92 PDGFRB (0.55) PDGFRBKITKDRL3MBTL1KMT2A
SCHEMBL688902 0.90 PDGFRB (0.61) PDGFRBKITKDRL3MBTL1KDM4E
SCHEMBL689441 0.86 PDGFRB (0.53) PDGFRBKITKDRL3MBTL1HTR2A
SCHEMBL689617 0.81 PDGFRB (0.54) PDGFRBKITKDRKDM4E
SCHEMBL688026 0.81 PDGFRB (0.43) PDGFRBKITKDRKDM4EALDH1A1
SCHEMBL689669 0.79 PDGFRB (0.43) PDGFRBKITKDRL3MBTL1KDM4E
SCHEMBL689986 0.79 KDR (0.59) PDGFRBKITKDRL3MBTL1KDM4E

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 504/4885KIT 324/4885KDR 665/4885

“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.