SCHEMBL1965178

SCHEMBL1965178

COC(=O)c1ccc2c(c1)/C(=C/c1ccc(F)cc1)C(=O)N2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.69
RAF1 P04049 1/20 0.69
PDPK1 O15530 1/20 0.64
JAK3 P52333 1/20 0.62
PSEN1 P49768 1/20 0.59
PSEN2 P49810 1/20 0.59
APH1B Q8WW43 1/20 0.59
NCSTN Q92542 1/20 0.59
APH1A Q96BI3 1/20 0.59
PSENEN Q9NZ42 1/20 0.59
KDR P35968 1/20 0.55
GSK3B P49841 4/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TLK2 Q86UE8 2/20 0.54
RET P07949 2/20 0.51
LRRK2 Q5S007 1/20 0.51
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50

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
SCHEMBL12580695 1.00 AURKA (0.69) AURKARAF1PDPK1JAK3PSEN1
SCHEMBL8529179 0.83 RAF1 (0.65) AURKARAF1PDPK1JAK3PSEN1
SCHEMBL1395364 0.81 RAF1 (0.76) AURKARAF1PDPK1PSEN1PSEN2
SCHEMBL1395361 0.81 RAF1 (0.76) AURKARAF1PDPK1PSEN1PSEN2
Gw405841X SCHEMBL1395153 0.81 RAF1 (1.00) AURKARAF1PDPK1PSEN1PSEN2
Gw405841X SCHEMBL1395154 0.81 RAF1 (1.00) AURKARAF1PDPK1PSEN1PSEN2
SCHEMBL14674418 0.80 KDR (0.72) JAK3PSEN1PSEN2APH1BNCSTN
SCHEMBL29638292 0.80 KDR (0.72) JAK3PSEN1PSEN2APH1BNCSTN
SCHEMBL14674419 0.80 KDR (0.72) JAK3PSEN1PSEN2APH1BNCSTN
SCHEMBL4413790 0.80 MEN1 (0.73) PDPK1JAK3PSEN1PSEN2APH1B

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
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 AURKA 4252/4885RAF1 1707/4885PDPK1 171/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 AURKA 4244/4885RAF1 1740/4885PDPK1 166/4885

“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.