SCHEMBL15512057

SCHEMBL15512057

COC(=O)c1ccc2cnc(Nc3ccnc(C)c3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ WNT1 P04628 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42

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
SCHEMBL15511752 0.88 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL16880778 0.80 ALOX15 (0.51) KMT2AMEN1HPGDKDM4EALOX15
SCHEMBL31250398 0.80 ALOX15 (0.51) KMT2AMEN1HPGDKDM4EALOX15
SCHEMBL26310116 0.78 KMT2A (0.60) ROCK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL2671631 0.78 ALOX15 (0.49) GSK3BDYRK1AHPGDKDM4EALOX15
SCHEMBL15511275 0.77 GSK3A (0.56) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL15511885 0.77 MAPK1 (0.59) GSK3BDYRK1AKMT2AMEN1HPGD
SCHEMBL20414801 0.76 ALOX15 (0.45) GSK3BDYRK1AABL1KDM4EALOX15
SCHEMBL24010653 0.76 ROCK1 (0.61) ROCK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL17631647 0.74 ALOX15 (0.50) ROCK1HDAC1HPGDKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888247-B1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2020-03-25 — — EP disclosed
US-9388171-B2 Serine/threonine kinase inhibitors GENETECH, INC. (US) 2016-07-12 — — US disclosed
EP-2888247-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE!DISEASES Array Biopharma, Inc. (US) 2015-07-01 — — EP disclosed
WO-2014036015-A1 SERINE/THREONINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE|DISEASES ARRAY BIOPHARMA INC. (US) 2014-03-06 — — WO disclosed
US-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-06 — — 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 (1 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-20140066453-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 ROCK1 373/4885HDAC3 2545/4885HDAC1 1151/4885

“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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