SCHEMBL12367233

SCHEMBL12367233

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SYK P43405 1/20 0.39
USP30 Q70CQ3 1/20 0.33
NFKB1 P19838 4/20 0.32
JUN P05412 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
ATR Q13535 1/20 0.32
ATF1 P18846 1/20 0.32
PDPK1 O15530 1/20 0.31
POLB P06746 1/20 0.31
XPO1 O14980 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPA1 O75762 1/20 0.30
MT-CO2 P00403 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
SCHEMBL12303887 0.87 SYK (0.40) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL30964649 0.87 SYK (0.34) STK17BSTK17ASYKUSP30ATR
SCHEMBL31326421 0.84 STK17B (0.38) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL17133463 0.80 CKS1B (0.41) STK17BSTK17ASYKNFKB1JUN
SCHEMBL25323395 0.79 STK17B (0.45) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL30550836 0.79 STK17B (0.45) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL12332862 0.78 SYK (0.38) STK17BSTK17ASYKNFKB1JUN
SCHEMBL26975222 0.78 SYK (0.40) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL23094630 0.78 MT-CO2 (0.38) STK17BSTK17ASYKUSP30NFKB1
SCHEMBL17111666 0.77 SYK (0.37) SYKNFKB1NFKB2RELAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-08-03 US disclosed
EP-4166549-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-04-19 EP 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
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 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 (3 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 STK17B 1021/4885STK17A 785/4885SYK 159/4885
US-20230242551-A1 ISOTOPE-SUBSTITUTED SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF SLCO1B1, SLCO1B3, SLCO2B1 STK17B 874/4885STK17A 675/4885SYK 1628/4885
US-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 STK17B 200/4885STK17A 176/4885SYK 552/4885

“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.