SCHEMBL2944688

SCHEMBL2944688

COc1cc2cc(NC(=O)c3cc(C(=O)Nc4cc(CN5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)cnc2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 13/20 0.56
NTRK3 Q16288 2/20 0.54
DDR1 Q08345 11/20 0.54
ABL1 P00519 9/20 0.54
KIT P10721 3/20 0.54
BRAF P15056 3/20 0.54
BCR P11274 2/20 0.54
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53
RET P07949 2/20 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
SCHEMBL2949755 0.88 DDR2 (0.68) DDR2NTRK3DDR1ABL1KIT
SCHEMBL2945599 0.79 LCK (0.76) DDR2NTRK3DDR1ABL1BCR
SCHEMBL13219978 0.79 DDR2 (0.66) DDR2NTRK3DDR1ABL1KIT
SCHEMBL2948870 0.77 KIT (0.51) KITBRAF
SCHEMBL13220048 0.77 DDR2 (0.69) DDR2NTRK3DDR1ABL1KIT
SCHEMBL22025455 0.76 DDR2 (0.65) DDR2NTRK3DDR1ABL1KIT
SCHEMBL2976022 0.76 KIT (0.68) DDR2NTRK3DDR1ABL1KIT
SCHEMBL13219897 0.76 DDR2 (0.68) DDR2NTRK3DDR1ABL1KIT
SCHEMBL13349275 0.76 DDR2 (0.73) DDR2NTRK3DDR1ABL1KIT
SCHEMBL2962844 0.75 ABL1 (0.71) DDR2NTRK3DDR1ABL1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US claimed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US claimed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US claimed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US claimed
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 DDR2 2488/4885NTRK3 920/4885DDR1 2937/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 DDR2 2488/4885NTRK3 920/4885DDR1 2937/4885

“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.