SCHEMBL3109846

SCHEMBL3109846

COCCOc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.64
PDGFRB P09619 2/20 0.64
KDR P35968 2/20 0.64
CASP1 P29466 1/20 0.55
CASP14 P31944 1/20 0.55
CASP3 P42574 1/20 0.55
CASP2 P42575 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
CASP7 P55210 1/20 0.55
CASP9 P55211 1/20 0.55
CASP6 P55212 1/20 0.55
CASP8 Q14790 1/20 0.55
CASP12 Q6UXS9 1/20 0.55
CASP10 Q92851 1/20 0.55
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 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
SCHEMBL3116692 0.97 EGFR (0.60) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3119561 0.97 EGFR (0.60) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3114847 0.89 EGFR (0.62) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3113225 0.89 EGFR (0.59) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL14067216 0.88 EGFR (0.61) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3118633 0.88 EGFR (0.67) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3958767 0.86 EGFR (0.62) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3957397 0.86 EGFR (0.62) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL14067214 0.86 EGFR (0.59) EGFRPDGFRBKDRCASP1CASP14
SCHEMBL3118902 0.86 EGFR (0.75) EGFRPDGFRBKDRCASP1CASP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US claimed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US claimed
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-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-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 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-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

“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.