SCHEMBL3120774

SCHEMBL3120774

COc1ccc(N(C)c2nc(OC(C)C)nc3cccc(Cl)c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
EGFR P00533 2/20 0.48
PDGFRB P09619 2/20 0.48
CASP1 P29466 1/20 0.42
CASP14 P31944 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP12 Q6UXS9 1/20 0.42
CASP10 Q92851 1/20 0.42
TUBB3 Q13509 7/20 0.41
TUBB4A P04350 6/20 0.41
TUBB P07437 6/20 0.41
TUBA3C P0DPH7 6/20 0.41
TUBA1B P68363 6/20 0.41

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
SCHEMBL3113150 0.86 KDR (0.44) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3110426 0.83 EGFR (0.68) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3126100 0.82 EGFR (0.53) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3108502 0.81 EGFR (0.67) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3120767 0.73 LMNA (0.46) EGFR
SCHEMBL3115209 0.72 KDR (0.67) KDREGFRPDGFRBCASP1CASP14
SCHEMBL14375019 0.72 EGFR (0.67) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3118902 0.69 EGFR (0.75) KDREGFRPDGFRBCASP1CASP14
SCHEMBL3112156 0.69 KDR (0.66) KDREGFRPDGFRBCASP1CASP14
SCHEMBL23576870 0.68 EGFR (0.53) KDREGFRPDGFRBTUBB3TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US claimed
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US claimed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US claimed
JP-2007524637-A 2007-08-30 JP claimed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP claimed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US claimed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO claimed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 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 (8 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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX KDR 3722/4885EGFR 3147/4885PDGFRB 2783/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3809/4885EGFR 2648/4885PDGFRB 2627/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070244114-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KDR 3716/4885EGFR 2915/4885PDGFRB 2620/4885

“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.