SCHEMBL2588060

SCHEMBL2588060

CC1(Cc2ccccc2)C=CNC(=O)C1CN

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
CYP3A4 P08684 2/20 0.32
BACE1 P56817 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL605319 0.64 MAOA (0.34) ELANECYP3A4MAOBMAOAMEN1
SCHEMBL2280698 0.62 MAOA (0.39) CYP3A4MMP2MMP9MMP8MMP13
SCHEMBL29195204 0.59 ELANE (0.46) ELANECYP3A4MMP2MMP9MMP8
SCHEMBL13886739 0.57 TLR9 (0.46) ELANEBACE1MMP2MMP9MMP8
SCHEMBL16865428 0.57 MMP9 (0.56) ELANECYP3A4MMP2MMP9MMP8
SCHEMBL29256181 0.56 ELANE (0.56) ELANEBACE1MMP2MMP9MMP8
SCHEMBL31206797 0.56 ALDH1A1 (0.35) ELANECYP3A4MAOBMAOACA2
SCHEMBL12326483 0.55
SCHEMBL12418929 0.55
SCHEMBL11256566 0.55 ELANE (0.42) ELANECYP3A4MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B ELANE 1385/4885DDB1 946/4885CRBN 2225/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B ELANE 1385/4885DDB1 946/4885CRBN 2225/4885

“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.