SCHEMBL1999440

SCHEMBL1999440

CN1C(=O)[C@@H](N(C(=O)O)C(C)(C)C)CSc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.35
ACE P12821 4/20 0.35
MME P08473 3/20 0.35
XIAP P98170 1/20 0.35
NOTUM Q6P988 1/20 0.35
CCKBR P32239 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL1999442 1.00 RIPK1 (0.42) RIPK1KMT2AMITFTDP1ALDH1A1
SCHEMBL2004060 0.83 XIAP (0.48) KMT2AMITFTDP1ALDH1A1HSD17B10
SCHEMBL2004057 0.83 XIAP (0.48) KMT2AMITFTDP1ALDH1A1HSD17B10
SCHEMBL6257705 0.81 RIPK1 (0.42) RIPK1KMT2AMITFTDP1ALDH1A1
SCHEMBL2282815 0.79 SCN9A (0.43) RIPK1KMT2AMEN1
SCHEMBL2284193 0.79 SCN9A (0.43) RIPK1KMT2AMEN1
SCHEMBL17312786 0.79 RIPK1 (0.39) RIPK1CCKBR
SCHEMBL2235808 0.79 RIPK1 (0.39) RIPK1CCKBR
SCHEMBL1996572 0.78 XIAP (0.44) KMT2AALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL1996571 0.78 XIAP (0.44) KMT2AALDH1A1TP53SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 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-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 RIPK1 349/4885KMT2A 224/4885MITF 1421/4885

“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.