SCHEMBL4501387

SCHEMBL4501387

CCN(CC)CC(O)CNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(C(=O)NCCO)cc32)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 7/20 0.59
KDR P35968 12/20 0.53
PRKAA1 Q13131 8/20 0.53
PRKAA2 P54646 7/20 0.53
PDGFRB P09619 6/20 0.52
FGFR1 P11362 4/20 0.52
EGFR P00533 3/20 0.51
CSF1R P07333 3/20 0.51
PLK4 O00444 2/20 0.51
DCLK1 O15075 2/20 0.51
PDPK1 O15530 2/20 0.51
DAPK3 O43293 2/20 0.51
ROCK2 O75116 2/20 0.51
RPS6KA5 O75582 2/20 0.51
RPS6KA4 O75676 2/20 0.51
MAP4K4 O95819 2/20 0.51
CHEK2 O96017 2/20 0.51
NTRK1 P04629 2/20 0.51
INSR P06213 2/20 0.51
LCK P06239 2/20 0.51

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
SCHEMBL4501373 1.00 GRK5 (0.59) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4481673 0.92 GRK5 (0.57) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4481682 0.92 GRK5 (0.57) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4492200 0.91 GRK5 (0.56) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4492209 0.91 GRK5 (0.56) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4484698 0.88 KDR (0.58) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4484690 0.88 KDR (0.58) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4495587 0.86 GRK5 (0.53) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4495580 0.86 GRK5 (0.53) GRK5KDRPRKAA1PRKAA2PDGFRB
SCHEMBL4488707 0.84 GRK5 (0.54) GRK5KDRPRKAA1PRKAA2PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653308-B2 Anticancer agents; antidiabetic agents; antiinflammatory agents SUGEN, INC. 2003-11-25 US claimed
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 US disclosed
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 US disclosed
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 US disclosed
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 EP disclosed
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS SUGEN, INC. 2008-02-21 US disclosed
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS SUGEN, INC. 2008-02-21 US disclosed
US-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS SUGEN, INC. 2008-02-21 US disclosed
US-7256189-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. (US) 2007-08-14 US disclosed
US-7256189-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. (US) 2007-08-14 US disclosed
US-7179910-B2 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-7179910-B2 3-(4-amidopyrrol-2-ylmethlidene)-2-indolinone derivatives as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2007-02-20 US disclosed
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. 2007-02-01 US disclosed
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors SUGEN, INC. 2007-02-01 US disclosed
EP-1370554-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2003-12-17 EP disclosed
US-6653308-B2 Anticancer agents; antidiabetic agents; antiinflammatory agents SUGEN, INC. 2003-11-25 US disclosed
WO-2002066463-A1 3-(4-AMIDOPYRROL-2-YLMETHLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2002-08-29 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 (2 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-20080045709-A1 3-(4-AMIDOPYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP4K2, MAP4K3, CDK2 GRK5 280/4885KDR 762/4885PRKAA1 232/4885
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors PDPK1, MAP4K2, MAP4K3 GRK5 461/4885KDR 1334/4885PRKAA1 151/4885

“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.