SCHEMBL2111024

SCHEMBL2111024

Cc1[nH]c(/C=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)c1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.72
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
KDR P35968 5/20 0.56
FLT4 P35916 4/20 0.56
FLT3 P36888 4/20 0.56
KIT P10721 2/20 0.56
NOX4 Q9NPH5 1/20 0.54
GSK3B P49841 4/20 0.53
GRK5 P34947 1/20 0.53
PDGFRB P09619 3/20 0.53
JAK3 P52333 1/20 0.53
FGFR1 P11362 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL31726305 0.87 PDGFRB (0.70) ALKCCNE1CDK2KDRFLT4
SCHEMBL3273838 0.85 ALK (0.79) ALKKDRFLT4FLT3KIT
SCHEMBL6520348 0.85 ALK (0.58) ALKCCNE1CDK2KDRFLT4
SCHEMBL6283603 0.85 ALK (0.56) ALKCCNE1CDK2KDRFLT4
SCHEMBL16486529 0.84 ALK (0.78) ALKKDRFLT4FLT3KIT
SCHEMBL16490745 0.84 ALK (0.78) ALKKDRFLT4FLT3KIT
SCHEMBL859966 0.84 ALK (1.00) ALKKDRFLT4FLT3KIT
SCHEMBL3723130 0.84 ALK (0.76) ALKKDRFLT4FLT3KIT
SCHEMBL2112712 0.84 ALK (0.76) ALKKDRFLT4FLT3KIT
SCHEMBL18631714 0.84 ALK (0.76) ALKKDRFLT4FLT3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158656-B2 2-indolinone derivatives as multi-target protein kinase inhibitors and histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-04-17 US disclosed
US-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-12-03 US 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-20090298886-A1 2-INDOLINONE DERIVATIVES AS MULTI-TARGET PROTEIN KINASE INHIBITORS AND HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 ALK 3035/4885CCNE1 2512/4885CDK2 132/4885

“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.