SCHEMBL3109740

SCHEMBL3109740

COc1ccc(N(C)c2nc(C)nc3c2CCCC3)cc1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 9/20 0.95
ABCB1 P08183 4/20 0.95
HDAC1 Q13547 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
KDR P35968 5/20 0.53
EGFR P00533 3/20 0.53
PDGFRB P09619 3/20 0.53
PDGFRA P16234 1/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51

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
SCHEMBL13413606 0.97 TUBB3 (1.00) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL3118547 0.85 TUBB3 (0.70) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL3115804 0.83 TUBB3 (0.67) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18158229 0.83 TUBB3 (0.75) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL3108774 0.83 TUBB3 (0.74) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL3114107 0.82 TUBB3 (0.66) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL3115168 0.82 TUBB3 (0.66) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18158235 0.82 TUBB3 (0.69) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18163771 0.81 TUBB3 (0.71) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18163756 0.81 TUBB3 (0.71) TUBB3ABCB1HDAC1HDAC8HDAC6

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 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 TUBB3 290/4885ABCB1 917/4885HDAC1 744/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB3 325/4885ABCB1 625/4885HDAC1 780/4885

“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.