SCHEMBL3114136

SCHEMBL3114136

Cc1nc(N(C)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.60
▸ PDGFRB P09619 3/20 0.60
▸ KDR P35968 3/20 0.60
▸ NR3C2 P08235 2/20 0.59
▸ HDAC8 Q9BY41 5/20 0.54
▸ HDAC6 Q9UBN7 5/20 0.54
▸ HDAC1 Q13547 4/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ USP2 O75604 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49
▸ PDE5A O76074 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL2257197 0.83 EGFR (0.67) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL8738964 0.82 NR3C2 (0.66) NR3C2KDM1ACYP1A2CYP2D6CYP2C9
SCHEMBL2258926 0.81 EGFR (0.61) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2257482 0.80 EGFR (0.60) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL19789164 0.80 EGFR (0.74) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3115859 0.80 EGFR (0.74) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2263168 0.79 EGFR (0.58) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2257678 0.78 EGFR (0.64) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL2256177 0.77 EGFR (0.70) EGFRPDGFRBKDRHDAC8HDAC6
SCHEMBL3109895 0.77 EGFR (0.70) EGFRPDGFRBKDRHDAC8HDAC6

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.

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