SCHEMBL17133441

SCHEMBL17133441

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)ccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
CKS1B P61024 3/20 0.36
SKP1 P63208 3/20 0.36
SKP2 Q13309 3/20 0.36
LMNA P02545 3/20 0.36
GBA1 P04062 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HPGDS O60760 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL17336570 0.87 CYP3A4 (0.39) RAB9AGBA1HTT
SCHEMBL18779330 0.81 MTNR1A (0.34) KMT2AMEN1NPC1GAARAB9A
SCHEMBL20067069 0.81 MTNR1A (0.39) NPC1RAB9APAX8CKS1BSKP1
SCHEMBL21605103 0.80 KMT2A (0.41) KMT2AMEN1NPC1GAARAB9A
SCHEMBL17111477 0.80 TACR1 (0.38) KMT2AMEN1PAX8CKS1BSKP1
SCHEMBL20067074 0.79 MTNR1A (0.33) KMT2AMEN1NPC1GAARAB9A
SCHEMBL8303054 0.79 ALDH1A1 (0.38) KMT2AMEN1NPC1GAARAB9A
SCHEMBL20067094 0.78 MTNR1A (0.33) PAX8CKS1BSKP1SKP2MTNR1A
SCHEMBL17111552 0.76 ALDH1A1 (0.35) NPC1GAARAB9ALMNAALDH1A1
SCHEMBL17111881 0.76 KMT2A (0.39) KMT2AMEN1NPC1GAARAB9A

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
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF KMT2A 3380/4885MEN1 4623/4885NPC1 1902/4885
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 KMT2A 3308/4885MEN1 4696/4885NPC1 1624/4885

“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.