SCHEMBL3112893

SCHEMBL3112893

CCOc1ccc(N(C)c2nc(CN3C(=O)c4ccccc4C3=O)nc3ccccc23)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.39
EGFR P00533 2/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
GUSB P08236 1/20 0.37
TSHR P16473 1/20 0.37
PTK2B Q14289 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR2 O95136 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3121307 0.91 EGFR (0.44) THRBEGFRPDGFRBKDRHDAC1
SCHEMBL3113682 0.89 KMT2A (0.42) KMT2AEGFRPDGFRBKDRHDAC1
SCHEMBL3111895 0.83 EGFR (0.44) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3120789 0.83 EGFR (0.43) EGFRPDGFRBKDRTSHRPTK2B
SCHEMBL13413787 0.83 EGFR (0.43) EGFRPDGFRBKDRHDAC1HDAC8
Hydrochloric Acid SCHEMBL3108525 0.82 EGFR (0.42) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL92760 0.79 EGFR (0.58) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3107628 0.77 PDE10A (0.40) KMT2AGUSBTSHRPTK2BNPSR1
SCHEMBL3117661 0.73 EGFR (0.51) EGFRPDGFRBKDRHDAC1HDAC8
SCHEMBL3121536 0.73 ABCG2 (0.42) EGFRPDGFRBKDRHDAC1HDAC8

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 KMT2A 4023/4885THRB 3970/4885EGFR 3147/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX KMT2A 3742/4885THRB 3931/4885EGFR 2648/4885

“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.