Sugi Predict

Sugi Predict / Compounds / SCHEMBL4575487

SCHEMBL4575487

SCHEMBL4575487

Cc1cc(C)c(/C=C2\C(=O)N(CN3CCCC3)c3ccccc32)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.63
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ RET P07949 5/20 0.48
▸ CSF1R P07333 2/20 0.48
▸ FGFR1 P11362 2/20 0.48
▸ SRC P12931 2/20 0.48
▸ FLT1 P17948 2/20 0.48
▸ FGFR3 P22607 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ PDGFRB P09619 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL4575494 1.00 KDR (0.63) KDRCA1CA2RETCSF1R
SCHEMBL5472939 0.99 KDR (0.61) KDRCA1CA2RETCSF1R
SCHEMBL5472944 0.99 KDR (0.61) KDRCA1CA2RETCSF1R
SCHEMBL4575601 0.91 KDR (0.60) KDRCA1CA2RETCSF1R
SCHEMBL4575597 0.91 KDR (0.60) KDRCA1CA2RETCSF1R
Methylpiperazine SCHEMBL6424765 0.87 KDR (0.55) KDRCA1CA2RETCSF1R
Methylpiperazine SCHEMBL6424762 0.87 KDR (0.55) KDRCA1CA2RETCSF1R
SCHEMBL3916195 0.85 RET (0.50) KDRCA1CA2RETCSF1R
SCHEMBL5750362 0.85 KDR (0.58) KDRCA1CA2RETCSF1R
SCHEMBL5750356 0.85 KDR (0.58) KDRCA1CA2RETCSF1R

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 44 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-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-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
US-20070167488-A1 Novel therapeutic use LEO PHARMA A/S (DK) 2007-07-19 — — 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
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-6451838-B1 ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS PHARMACIA & UPJOHN COMPANY 2002-09-17 — — US disclosed
US-20020037878-A1 Prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PHARMACIA & UPJOHN COMPANY 2002-03-28 — — US disclosed
US-20020035140-A1 1-(pyrrlolidin-1-ylmethyl)-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PHARMACIA & UPJOHN COMPANY 2002-03-21 — — US disclosed
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN INCORPORATED 2002-03-14 — — US disclosed
WO-2001090104-A2 -(PYRROLIDIN-1-YLMETHYL)-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AND THEIR USE AS MODULATORS OF PROTEIN KINASES PHARMACIA & UPJOHN COMPANY (US) 2001-11-29 — — 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 (4 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 1123/4885CA1 4758/4885CA2 3169/4885
US-20020032204-A1 Mannich base prodrugs of 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives DMPK, PNKP, PLK2 KDR 3028/4885CA1 4554/4885CA2 2953/4885
US-20020035140-A1 1-(pyrrlolidin-1-ylmethyl)-3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PKLR, DMPK, PHKG1 KDR 1080/4885CA1 4881/4885CA2 4444/4885
US-20070167488-A1 Novel therapeutic use MAG, PMP22, MYT1 KDR 4334/4885CA1 69/4885CA2 2081/4885

“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.