SCHEMBL13413754

SCHEMBL13413754

COc1ccc(N(C)c2nc(NCCN)nc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 2/20 0.66
TUBB4A P04350 1/20 0.66
TUBB P07437 1/20 0.66
TUBA3C P0DPH7 1/20 0.66
TUBA1B P68363 1/20 0.66
TUBA4A P68366 1/20 0.66
TUBB4B P68371 1/20 0.66
TUBB2A Q13885 1/20 0.66
TUBB8 Q3ZCM7 1/20 0.66
TUBA3E Q6PEY2 1/20 0.66
TUBA1A Q71U36 1/20 0.66
TUBA1C Q9BQE3 1/20 0.66
TUBB6 Q9BUF5 1/20 0.66
TUBB2B Q9BVA1 1/20 0.66
TUBB1 Q9H4B7 1/20 0.66
EGFR P00533 2/20 0.61
PDGFRB P09619 2/20 0.61
KDR P35968 2/20 0.61
MERTK Q12866 3/20 0.55
CASP1 P29466 1/20 0.53

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
SCHEMBL13412933 0.94 TUBB3 (0.62) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413775 0.92 TUBB3 (0.63) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13412932 0.90 TUBB3 (0.60) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413773 0.89 TUBB4A (0.66) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413772 0.89 TUBB4A (0.53) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413760 0.89 TUBB4A (0.66) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3119021 0.89 TUBB4A (0.66) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413776 0.88 TUBB4A (0.52) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3113048 0.87 MERTK (0.70) TUBB3TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13413784 0.87 TUBB4A (0.64) TUBB3TUBB4ATUBBTUBA3CTUBA1B

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 6 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-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-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 290/4885TUBB4A 160/4885TUBB 295/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX TUBB3 325/4885TUBB4A 155/4885TUBB 332/4885

“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.