SCHEMBL14907185

SCHEMBL14907185

CCCCNC(=O)CCN(C)C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.71
CASP2 P42575 1/20 0.57
NAAA Q02083 1/20 0.53
FAAH O00519 4/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
CNR1 P21554 1/20 0.49
EPHX1 P07099 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
EPHX2 P34913 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
SCHEMBL12344052 0.94 DNM1 (0.74) DNM1CASP2NAAAFAAHTHRA
SCHEMBL18402532 0.92 DNM1 (0.77) DNM1CASP2NAAAFAAHTHRA
SCHEMBL4394696 0.92 DNM1 (0.77) DNM1CASP2NAAAFAAHTHRA
SCHEMBL4848780 0.92 DNM1 (0.77) DNM1CASP2NAAAFAAHTHRA
SCHEMBL5164631 0.92 DNM1 (0.77) DNM1CASP2NAAAFAAHTHRA
SCHEMBL9664334 0.92 DNM1 (0.77) DNM1CASP2NAAAFAAHTHRA
SCHEMBL23543219 0.90 DNM1 (0.80) DNM1CASP2NAAAFAAHTHRA
SCHEMBL24412648 0.88 DNM1 (0.65) DNM1CASP2NAAAFAAHTHRA
SCHEMBL7140311 0.88 DNM1 (0.61) DNM1CASP2NAAAFAAHTHRA
SCHEMBL3319780 0.85 DNM1 (0.96) DNM1CASP2NAAAFAAHCNR1

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
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2017-03-09 US disclosed
US-9499503-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2016-11-22 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-9102639-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-08-11 US disclosed
US-20150210658-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-30 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-8623895-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2014-01-07 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 (5 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 DNM1 422/4885CASP2 3419/4885NAAA 2574/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DNM1 508/4885CASP2 3567/4885NAAA 2785/4885
US-20150210658-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DNM1 422/4885CASP2 3419/4885NAAA 2574/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 DNM1 508/4885CASP2 3567/4885NAAA 2785/4885
US-20170066733-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF18B, KIF18A DNM1 491/4885CASP2 3501/4885NAAA 1408/4885

“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.