SCHEMBL3106427

SCHEMBL3106427

COc1ccc(N(C)c2nc(C)nc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.57
▸ EGFR P00533 3/20 0.57
▸ PDGFRB P09619 3/20 0.57
▸ PKM P14618 1/20 0.51
▸ PDGFRA P16234 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GFER P55789 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ LMNA P02545 4/20 0.47
▸ PTPN2 P17706 2/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ PTPN5 P54829 2/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 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
SCHEMBL2257323 0.81 KDR (0.59) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL2259249 0.81 KDR (0.59) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL18552090 0.78 KDR (0.71) KDREGFRPDGFRBPDGFRATUBB4A
SCHEMBL2258430 0.78 KDR (0.71) KDREGFRPDGFRBPDGFRATUBB4A
SCHEMBL3108338 0.76 KDR (0.68) KDREGFRPDGFRBPDGFRATUBB4A
SCHEMBL2256222 0.76 KDR (0.68) KDREGFRPDGFRBPDGFRATUBB4A
SCHEMBL3109889 0.76 KDR (0.61) KDREGFRPDGFRBPDGFRAMAPT
SCHEMBL12363531 0.75 KDR (0.62) KDREGFRPDGFRBPDGFRATUBB4A
SCHEMBL4308593 0.75 KEAP1 (0.48) KDREGFRPDGFRBPKMMAPT
SCHEMBL13621283 0.74 KDR (0.65) KDREGFRPDGFRBPDGFRATUBB4A

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 10 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-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 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

“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.

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