SCHEMBL21031817

SCHEMBL21031817

C=Cc1ncc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
POLQ O75417 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SOS1 Q07889 1/20 0.32
MAPK3 P27361 1/20 0.32
RXRA P19793 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL21031816 0.89 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CPOLQHDAC1
SCHEMBL25262847 0.81 SOS1 (0.37) CACNA1GCACNA1BCACNA1CPOLQHDAC1
SCHEMBL30397185 0.81 SOS1 (0.37) CACNA1GCACNA1BCACNA1CPOLQHDAC1
SCHEMBL23032506 0.81 MEN1 (0.38) CACNA1GCACNA1BCACNA1CHDAC1HDAC8
SCHEMBL30672475 0.79 CACNA1B (0.37) CACNA1GCACNA1BCACNA1CSOS1LMNA
SCHEMBL23032507 0.79 POLQ (0.38) CACNA1GCACNA1BCACNA1CPOLQHDAC1
SCHEMBL26663177 0.76 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CLMNAPOLB
SCHEMBL24707422 0.76 USP30 (0.33) ALDH1A1
SCHEMBL29435642 0.72 CACNA1G (0.38) CACNA1GCACNA1BCACNA1CPOLQHDAC1
SCHEMBL29435635 0.72 MEN1 (0.42) CACNA1GCACNA1BCACNA1CPOLQHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO CACNA1G 3402/4885CACNA1B 4036/4885CACNA1C 4153/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO CACNA1G 3402/4885CACNA1B 4036/4885CACNA1C 4153/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO CACNA1G 3402/4885CACNA1B 4036/4885CACNA1C 4153/4885

“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.