SCHEMBL3113776

SCHEMBL3113776

COc1ccc(N(C)c2cc(C(F)(F)F)nc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
PDGFRB P09619 2/20 0.53
KDR P35968 2/20 0.53
MERTK Q12866 4/20 0.50
NT5E P21589 1/20 0.49
CASP1 P29466 1/20 0.48
CASP14 P31944 1/20 0.48
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CASP12 Q6UXS9 1/20 0.48
CASP10 Q92851 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13413770 0.81 EGFR (0.54) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL29230152 0.78 EGFR (0.53) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL23668707 0.76 KIF11 (0.41) L3MBTL1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL30062700 0.76 KIF11 (0.41) L3MBTL1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL3116752 0.76 EGFR (0.68) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL23037530 0.75 KDM1A (0.47) HPGDSMN1; SMN2LMNAKDM4EMAPT
SCHEMBL3110770 0.73 CASP1 (0.55) EGFRPDGFRBKDRMERTKCASP1
SCHEMBL30367177 0.73 CYP1A2 (0.47) EGFRPDGFRBKDRACP1KDM1A
SCHEMBL3968912 0.72 HPGD (0.57) NT5EL3MBTL1HPGDSMN1; SMN2LMNA
SCHEMBL13056982 0.72 CASP1 (0.60) EGFRPDGFRBKDRMERTKCASP1

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 7 patents. 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-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

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.