SCHEMBL1462136

SCHEMBL1462136

CCOC(=O)c1cccc2c(O)ncnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CDC25B P30305 3/20 0.49
CCR6 P51684 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CLEC4M Q9H2X3 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL12786659 0.87 TSHR (0.53) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL12786651 0.84 TSHR (0.50) TSHRCDC25BALDH1A1HSD17B10CLEC4M
SCHEMBL667108 0.84 KDM4E (0.49) TSHRALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL3638135 0.83 MEN1 (0.49) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL7690740 0.80 CDC25B (0.53) TSHRCDC25BCCR6ALDH1A1HSD17B10
SCHEMBL27167364 0.79 TSHR (0.50) TSHRCDC25BCCR6ALDH1A1HSD17B10
SCHEMBL1462120 0.78 CDC7 (0.42) TSHRCCR6ALDH1A1KDM4EMAPK1
SCHEMBL10465592 0.77 KMT2A (0.54) TSHRALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL667822 0.77 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL16112265 0.76 TSHR (0.50) TSHRCDC25BALDH1A1HSD17B10CLEC4M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2013-01-17 US disclosed
EP-2493865-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2012-09-05 EP disclosed
WO-2011025938-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-03-03 WO disclosed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 US disclosed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 US disclosed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 US disclosed
EP-2170842-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM, LLC (BM) 2010-04-07 EP disclosed
WO-2008157575-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-12-24 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-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN TSHR 3326/4885CDC25B 553/4885CCR6 1997/4885
US-20130018033-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TSHR 2668/4885CDC25B 436/4885CCR6 4211/4885

“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.