SCHEMBL4489516

SCHEMBL4489516

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)c(C)c1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.71
RET P07949 2/20 0.65
FLT3 P36888 10/20 0.57
KDR P35968 7/20 0.57
FLT4 P35916 4/20 0.57
KIT P10721 2/20 0.57
AURKB Q96GD4 5/20 0.56
PDGFRB P09619 4/20 0.55
LRRK2 Q5S007 1/20 0.55
AURKA O14965 1/20 0.55
MET P08581 1/20 0.55
AURKC Q9UQB9 1/20 0.55
FGFR1 P11362 2/20 0.53
ABL1 P00519 1/20 0.53
PRKAA2 P54646 2/20 0.52
PRKAA1 Q13131 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 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
SCHEMBL4489518 1.00 ALK (0.71) ALKRETFLT3KDRFLT4
SCHEMBL3267645 0.88 ALK (0.73) ALKRETFLT3KDRFLT4
SCHEMBL6516851 0.85 ALK (0.57) ALKRETFLT3KDRFLT4
SCHEMBL12335814 0.85 PRKAA1 (0.75) ALKRETFLT3KDRFLT4
SCHEMBL6518669 0.84 ALK (0.55) ALKRETFLT3KDRFLT4
SCHEMBL859965 0.83 ALK (1.00) ALKRETFLT3KDRFLT4
SCHEMBL859966 0.83 ALK (1.00) ALKRETFLT3KDRFLT4
SCHEMBL3273838 0.83 ALK (0.79) ALKRETFLT3KDRFLT4
SCHEMBL16486529 0.82 ALK (0.78) ALKRETFLT3KDRFLT4
SCHEMBL16490745 0.82 ALK (0.78) ALKRETFLT3KDRFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582756-B2 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone derivatives as protein kinase inhibitors SUGEN, INC. (US) 2009-09-01 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-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
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 ALK 544/4885RET 509/4885FLT3 403/4885
US-20070027149-A1 3-(4-amidopyrrol-2-ylmethylidene)-2-indolinone der derivatives as protein kinase inhibitors PDPK1, MAP4K2, MAP4K3 ALK 651/4885RET 431/4885FLT3 571/4885

“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.