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SCHEMBL2209335

SCHEMBL2209335

COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 17/20 0.76
▸ HSD17B10 Q99714 4/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ CASP1 P29466 2/20 0.60
▸ CASP7 P55210 2/20 0.60
▸ TSHR P16473 1/20 0.59
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL30015141 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL708062 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL3059418 0.84 ALDH1A1 (0.72) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2209684 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL18549374 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL374339 0.78 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL7694200 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2210585 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL29701577 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL29100739 0.76 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1CASP1CASP7

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2018-07-10 — — US disclosed
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2018-07-10 — — US disclosed
US-20170320853-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA, INC. (US) 2017-11-09 — — US disclosed
US-20170320853-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA, INC. (US) 2017-11-09 — — US disclosed
US-9745283-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2017-08-29 — — US disclosed
US-20170050949-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. 2017-02-23 — — US disclosed
US-9522902-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2016-12-20 — — US disclosed
US-9522902-B2 Uracil derivatives as AXL and c-MET kinase inhibitors IGNYTA, INC. (US) 2016-12-20 — — US disclosed
EP-2780338-B1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA INC (US) 2016-11-09 — — EP disclosed
EP-2780338-B1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS IGNYTA INC (US) 2016-11-09 — — EP disclosed
WO-2013074633-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS CEPHALON, INC. (US) 2013-05-23 — — WO disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 — — US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 — — US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 — — US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 — — US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 — — EP disclosed
EP-2136807-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS Glaxo Group Limited (GB) 2009-12-30 — — EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 — — US disclosed
WO-2008125594-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2008-10-23 — — WO disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 — — 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 (6 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-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 ALDH1A1 2075/4885HSD17B10 3362/4885MAPK1 372/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ALDH1A1 2075/4885HSD17B10 3362/4885MAPK1 372/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 ALDH1A1 2075/4885HSD17B10 3362/4885MAPK1 372/4885
US-20170050949-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS AXL, RET, BRAF ALDH1A1 1561/4885HSD17B10 4782/4885MAPK1 135/4885
US-20170320853-A1 URACIL DERIVATIVES AS AXL AND C-MET KINASE INHIBITORS AXL, RET, FLT3 ALDH1A1 1198/4885HSD17B10 4768/4885MAPK1 132/4885
US-10017496-B2 Uracil derivatives as AXL and c-MET kinase inhibitors AXL, RET, FLT3 ALDH1A1 1198/4885HSD17B10 4768/4885MAPK1 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.