SCHEMBL20067074

SCHEMBL20067074

CC(=O)C(N)c1ccc(-c2ccccc2)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PAX8 Q06710 1/20 0.32
PDPK1 O15530 1/20 0.32
GRM2 Q14416 1/20 0.32
GRM6 O15303 1/20 0.31
BRD4 O60885 1/20 0.31
HPGDS O60760 1/20 0.31
SLC7A5 Q01650 1/20 0.31
CKS1B P61024 2/20 0.30
SKP1 P63208 2/20 0.30
SKP2 Q13309 2/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 2/20 0.30
GBA1 P04062 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 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
SCHEMBL18779330 0.88 MTNR1A (0.34) MTNR1AMTNR1BPAX8PDPK1BRD4
SCHEMBL17133441 0.79 KMT2A (0.36) MTNR1AMTNR1BPAX8PDPK1BRD4
SCHEMBL17111552 0.78 ALDH1A1 (0.35) ALDH1A1LMNAMAPTNPC1GAA
SCHEMBL17111881 0.78 KMT2A (0.39) ALDH1A1LMNAKMT2AMAPTMAPK1
SCHEMBL20067069 0.77 MTNR1A (0.39) MTNR1AMTNR1BPAX8PDPK1BRD4
SCHEMBL8303054 0.75 ALDH1A1 (0.38) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL20067094 0.74 MTNR1A (0.33) MTNR1AMTNR1BPAX8BRD4HPGDS
SCHEMBL17111477 0.73 TACR1 (0.38) MTNR1AMTNR1BPAX8BRD4HPGDS
SCHEMBL3773631 0.69 MAP2K3 (0.47) PAX8GRM6ALDH1A1KMT2AMAPT
SCHEMBL17336570 0.68 CYP3A4 (0.39) GBA1RAB9A

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 1 patent. 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

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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF MTNR1A 1826/4885MTNR1B 2032/4885PAX8 4664/4885

“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.