SCHEMBL4575601

SCHEMBL4575601

Cc1cc(C)c(C=C2C(=O)N(CN3CCN(C)CC3)c3ccccc32)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.60
ALDH1A1 P00352 4/20 0.57
ALDH3A1 P30838 4/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
RET P07949 5/20 0.46
FGFR1 P11362 3/20 0.46
PDGFRB P09619 3/20 0.46
CSF1R P07333 2/20 0.46
SRC P12931 2/20 0.46
FLT1 P17948 2/20 0.46
FGFR3 P22607 2/20 0.46
MAPK1 P28482 2/20 0.46
FLT4 P35916 2/20 0.46
FLT3 P36888 2/20 0.46
ALK Q9UM73 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL4575597 1.00 KDR (0.60) KDRALDH1A1ALDH3A1CA1CA2
Methylpiperazine SCHEMBL6424765 0.95 KDR (0.55) KDRALDH1A1ALDH3A1CA1CA2
Methylpiperazine SCHEMBL6424762 0.95 KDR (0.55) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL4575494 0.91 KDR (0.63) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL4575487 0.91 KDR (0.63) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL5472939 0.90 KDR (0.61) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL5472944 0.90 KDR (0.61) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL5750362 0.83 KDR (0.58) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL5750356 0.83 KDR (0.58) KDRALDH1A1ALDH3A1CA1CA2
SCHEMBL5820102 0.82 ALDH3A1 (0.58) ALDH1A1ALDH3A1CA1CA2BCHE

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US claimed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005058309-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2005-06-30 WO claimed
US-7320996-B2 Indolinone protein kinase inhibitors and cyclooxygenase inhibitors for use in combination therapy for the treatment of cancer SUGEN, INC (US) 2008-01-22 US disclosed
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 US disclosed
EP-1453502-A4 PHARMACEUTICAL FORMULATIONS COMPRISING INDOLINONE DERIVATIVES SUGEN INC (US) 2007-01-10 EP disclosed
US-7112603-B2 Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-7109185-B2 Pharmaceutical formulations comprising indolinone derivatives SUGEN, INC. (US) 2006-09-19 US disclosed
EP-1696906-A1 NOVEL THERAPEUTIC USE OF INDOLINONE DERIVATIVES Leo Pharma A/S (DK) 2006-09-06 EP disclosed
EP-1301507-B1 MANNICH BASE PRODRUGS OF 3 - (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES SUGEN INC (US) 2006-07-19 EP disclosed
US-7053113-B2 Mannich base prodrugs of 3-(pyrrol-2-yl-methylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
EP-1301507-A2 MANNICH BASE PRODRUGS OF 3 - (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES Sugen, Inc. (US) 2003-04-16 EP disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed
EP-1283835-A2 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS Sugen, Inc. (US) 2003-02-19 EP disclosed
US-6482848-B2 KINASE INHIBITORS SUGEN INCORPORATED 2002-11-19 US disclosed
US-20020037878-A1 Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN INCORPORATED 2002-03-14 US disclosed
WO-2001090103-A9 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS SUGEN INC (US) 2002-03-07 WO disclosed
WO-2001090103-A2 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS PROTEIN KINASE MODULATORS SUGEN, INC. (US) 2001-11-29 WO disclosed
WO-2001090068-A2 MANNICH BASE PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE A MODULATORS OF PROTEIN KINASES SUGEN, INC. (US) 2001-11-29 WO 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 (3 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-20020037878-A1 Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives DMPK, PNKP, PHKG2 KDR 1123/4885ALDH1A1 2136/4885ALDH3A1 1188/4885
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives DMPK, PNKP, PLK2 KDR 3028/4885ALDH1A1 2147/4885ALDH3A1 1292/4885
US-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 KDR 4334/4885ALDH1A1 2943/4885ALDH3A1 2869/4885

“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.