SCHEMBL688926

SCHEMBL688926

Cc1[nH]c2c(c1C(=O)N1CCN(CCO)CC1)CCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.41
KIT P10721 7/20 0.41
KDR P35968 7/20 0.41
AKR1C3 P42330 1/20 0.41
KMT2A Q03164 1/20 0.38
PARP1 P09874 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
BRD4 O60885 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
STAT3 P40763 1/20 0.35

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
SCHEMBL688614 0.86 PDGFRB (0.42) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL688901 0.80 PDGFRB (0.55) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL3345929 0.75 PDGFRB (0.58) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL12056525 0.75 PDGFRB (0.78) PDGFRBKITKDR
SCHEMBL689002 0.74 PDGFRB (0.58) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL689099 0.73 PDGFRB (0.55) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL688015 0.72 PDGFRB (0.59) PDGFRBKITKDRKMT2AALDH1A1
SCHEMBL689067 0.72 BRD4 (0.45) KMT2AALDH1A1LMNABRD4
SCHEMBL688491 0.71 BRD4 (0.58) KMT2AALDH1A1POLBHTTLMNA
SCHEMBL687487 0.71 PDGFRB (0.59) PDGFRBKITKDRKMT2APOLB

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.