SCHEMBL14907230

SCHEMBL14907230

CCCNNC(=N)NC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.39
HDAC1 Q13547 11/20 0.39
HDAC2 Q92769 11/20 0.39
HDAC8 Q9BY41 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
PAOX Q6QHF9 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOR2 Q9Y618 3/20 0.33
CRBN Q96SW2 1/20 0.31

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
SCHEMBL12344057 0.88 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL13140383 0.79 EPHX1 (0.31)
SCHEMBL3891234 0.77
SCHEMBL14907216 0.73
Dimethylamine SCHEMBL4602534 0.73 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL14907194 0.72
SCHEMBL17485165 0.71
SCHEMBL1070826 0.71 CRBN (0.47) LMNAKDM4ECRBN
SCHEMBL16392665 0.71 EPHX1 (0.47) PAOXHTTKDM4E
SCHEMBL7978080 0.69 KMT2A (0.33) KDM4EMAPTKMT2ACRBN

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
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 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 (3 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HDAC3 452/4885HDAC1 333/4885HDAC2 678/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HDAC3 498/4885HDAC1 417/4885HDAC2 910/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 HDAC3 498/4885HDAC1 417/4885HDAC2 910/4885

“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.