SCHEMBL94964

SCHEMBL94964

Nc1ccnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](CN2CCCC2)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.79
INSR P06213 7/20 0.79
LYN P07948 5/20 0.79
LCK P06239 4/20 0.79
FGFR1 P11362 4/20 0.79
FLT4 P35916 4/20 0.79
KDR P35968 4/20 0.79
FLT3 P36888 4/20 0.79
ROCK2 O75116 4/20 0.79
SRC P12931 3/20 0.79
KIT P10721 3/20 0.79
FLT1 P17948 3/20 0.79
ERBB4 Q15303 3/20 0.79
CHEK2 O96017 3/20 0.79
CSF1R P07333 3/20 0.79
RPS6KB1 P23443 3/20 0.79
MARK3 P27448 3/20 0.79
CSNK1D P48730 3/20 0.79
BLK P51451 3/20 0.79
NEK2 P51955 3/20 0.79

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
SCHEMBL12731416 1.00 IGF1R (0.79) IGF1RINSRLYNLCKFGFR1
SCHEMBL12232237 0.98 IGF1R (0.79) IGF1RINSRLYNLCKFGFR1
SCHEMBL1983470 0.88 IGF1R (1.00) IGF1RINSRLYNLCKFGFR1
SCHEMBL30631775 0.88 IGF1R (1.00) IGF1RINSRLYNLCKFGFR1
SCHEMBL95142 0.88 IGF1R (1.00) IGF1RINSRLYNLCKFGFR1
SCHEMBL1983472 0.88 IGF1R (1.00) IGF1RINSRLYNLCKFGFR1
SCHEMBL29356373 0.88 IGF1R (1.00) IGF1RINSRLYNLCKFGFR1
SCHEMBL1985751 0.88 IGF1R (0.98) IGF1RINSRLYNLCKFGFR1
SCHEMBL1985750 0.88 IGF1R (0.98) IGF1RINSRLYNLCKFGFR1
SCHEMBL1985344 0.88 IGF1R (0.98) IGF1RINSRLYNLCKFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20110262525-A1 METHODS OF TREATMENT SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 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 (5 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-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 IGF1R 7/4885INSR 23/4885LYN 4343/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 IGF1R 1/4885INSR 20/4885LYN 474/4885
US-20110262525-A1 METHODS OF TREATMENT ASAH2, FOLH1, CD44 IGF1R 2978/4885INSR 4146/4885LYN 3295/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 IGF1R 1/4885INSR 21/4885LYN 2803/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 IGF1R 4709/4885INSR 4597/4885LYN 3640/4885

“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.