SCHEMBL4407239

SCHEMBL4407239

COC(=O)CCc1c[nH]cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
PDGFRB P09619 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPK1 P28482 2/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4406764 0.84 CYP4F2 (0.54) ALDH1A1HSD17B10KMT2ALMNAMAPT
SCHEMBL12466795 0.79 ALDH1A1 (0.45) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL151413 0.79 NPSR1 (0.61) PDGFRBALDH1A1MAPTHPGDNPSR1
SCHEMBL12808519 0.79 NPSR1 (0.61) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL7482177 0.75 TSHR (0.40) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL8914213 0.74 CYP4F2 (0.51) TSHRALDH1A1HSD17B10KMT2ALMNA
SCHEMBL4662581 0.74 TSHR (0.39) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL5883235 0.73 CYP4F2 (0.46) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL26530009 0.73 PDGFRB (0.46) TSHRPDGFRBALDH1A1HSD17B10KMT2A
SCHEMBL10438855 0.72 CYP4F2 (0.58) TSHRALDH1A1HSD17B10KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 EP disclosed
US-7119090-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2006-10-10 US disclosed
CN-1250526-C Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2006-04-12 CN disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 US disclosed
US-6846839-B1 Methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis SUGEN, INC. (US) 2005-01-25 US disclosed
US-20030105151-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-05 US disclosed
EP-1233943-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS Sugen, Inc. (US) 2002-08-28 EP disclosed
US-6395734-B1 ANTICANCER AGENTS SUGEN, INC. 2002-05-28 US disclosed
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 EP disclosed
CN-1311775-A Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN INC (US) 2001-09-05 CN disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 EP disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 WO disclosed
CN-1088209-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-06-22 CN 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-20030105151-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors DMPK, PDPK1, PLK2 TSHR 3241/4885PDGFRB 1086/4885ALDH1A1 2172/4885

“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.