SCHEMBL3107703

SCHEMBL3107703

COc1ccc(N(C)c2nnc(Cl)c3ccc(F)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.46
CASP14 P31944 1/20 0.46
CASP3 P42574 1/20 0.46
CASP2 P42575 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CASP12 Q6UXS9 1/20 0.46
CASP10 Q92851 1/20 0.46
EGFR P00533 5/20 0.44
PDGFRB P09619 5/20 0.44
KDR P35968 5/20 0.44
TUBB4A P04350 5/20 0.43
TUBB P07437 5/20 0.43
TUBA3C P0DPH7 5/20 0.43
TUBA1B P68363 5/20 0.43
TUBA4A P68366 5/20 0.43

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
SCHEMBL3110008 0.95 CASP1 (0.46) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3758613 0.86 CASP1 (0.47) CASP1CASP14CASP3CASP2CASP4
SCHEMBL13057013 0.82 CASP1 (0.62) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3755770 0.81 CASP1 (0.47) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3108723 0.77 CASP1 (0.46) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3119308 0.77 CASP1 (0.46) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3762542 0.76 EGFR (0.49) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3760932 0.76 CASP1 (0.51) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3759518 0.71 EGFR (0.46) CASP1CASP14CASP3CASP2CASP4
SCHEMBL3107694 0.71 PDE5A (0.35) CASP1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CASP1 16/4885CASP14 6/4885CASP3 2/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CASP1 17/4885CASP14 5/4885CASP3 2/4885

“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.