SCHEMBL92760

SCHEMBL92760

COc1ccc(N(C)c2nc(CN3C(=O)c4ccccc4C3=O)nc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
PDGFRB P09619 2/20 0.58
KDR P35968 2/20 0.58
PDE10A Q9Y233 3/20 0.54
RPS6KA2 Q15349 1/20 0.51
CASP3 P42574 2/20 0.50
CASP1 P29466 1/20 0.50
CASP14 P31944 1/20 0.50
CASP2 P42575 1/20 0.50
CASP4 P49662 1/20 0.50
CASP5 P51878 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
CASP12 Q6UXS9 1/20 0.50
CASP10 Q92851 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48

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
SCHEMBL3113664 0.88 RPS6KA2 (0.46) EGFRPDGFRBKDRPDE10ARPS6KA2
SCHEMBL3110811 0.88 RPS6KA2 (0.46) EGFRPDGFRBKDRPDE10ARPS6KA2
SCHEMBL3114572 0.85 EGFR (0.45) EGFRPDGFRBKDRPDE10ARPS6KA2
SCHEMBL3121307 0.84 EGFR (0.44) EGFRPDGFRBKDRPDE10AHDAC1
SCHEMBL3120789 0.84 EGFR (0.43) EGFRPDGFRBKDRPDE10A
SCHEMBL3110573 0.81 EGFR (0.70) EGFRPDGFRBKDRCASP3CASP1
SCHEMBL3106167 0.80 EGFR (0.54) EGFRPDGFRBKDRCASP3CASP1
SCHEMBL1685034 0.79 EGFR (0.68) EGFRPDGFRBKDRCASP3CASP1
SCHEMBL3115922 0.79 EGFR (0.68) EGFRPDGFRBKDRCASP3CASP1
SCHEMBL3121016 0.79 EGFR (0.70) EGFRPDGFRBKDRCASP3CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011527693-A 2011-11-04 JP claimed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US claimed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP claimed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 WO claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES MYREXIS, INC. (US) 2011-09-15 US disclosed
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES MYREXIS, INC. (US) 2011-09-15 US disclosed
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES MYREXIS, INC. (US) 2011-09-15 US disclosed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US disclosed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US disclosed
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF MYREXIS, INC. (US) 2011-08-18 US disclosed
EP-2309856-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF Myrexis, Inc. (US) 2011-04-20 EP disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed
WO-2010006115-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-01-14 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885PDGFRB 2783/4885KDR 3722/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885PDGFRB 2627/4885KDR 3809/4885
US-20110224240-A1 METHODS OF TREATING CANCER AND RELATED DISEASES VHL, GLS2, SLC19A1 EGFR 762/4885PDGFRB 2165/4885KDR 1732/4885
US-20110200619-A1 PHARMACEUTICAL COMPOUNDS AS CYTOTOXIC AGENTS AND USES THEREOF TP53, NFATC1, BAD EGFR 1214/4885PDGFRB 1897/4885KDR 2207/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 EGFR 288/4885PDGFRB 625/4885KDR 1693/4885

“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.