SCHEMBL2117374

SCHEMBL2117374

Cc1cc(N2C(=O)c3ccccc3C2=O)sn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
AR P10275 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2116215 0.77 ALDH1A1 (0.38) KMT2AMEN1ARHTTNR1H2
SCHEMBL2119691 0.76 SCN2A (0.45) KMT2AMEN1ARALDH1A1TSHR
SCHEMBL3766012 0.68 HTT (0.43) KMT2AMEN1ARHTTALDH1A1
SCHEMBL28718494 0.66 HTT (0.44) KMT2AMEN1ARHTTALDH1A1
SCHEMBL29562157 0.66 RECQL (0.62) KMT2AMEN1ARALDH1A1GAA
SCHEMBL5026395 0.66 RECQL (0.62) KMT2AMEN1ARALDH1A1GAA
SCHEMBL501398 0.66 KMT2A (0.45) KMT2AMEN1ARRXFP1ALDH1A1
SCHEMBL11072686 0.66 KMT2A (0.45) KMT2AMEN1ARRXFP1ALDH1A1
SCHEMBL17827522 0.66 KMT2A (0.45) KMT2AMEN1ARRXFP1HTT
SCHEMBL30645651 0.66 ALDH1A1 (0.38) KMT2AMEN1ARHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
EP-2443113-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2012-04-25 EP disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 WO disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 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 (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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 KMT2A 2032/4885MEN1 2558/4885AR 780/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KMT2A 1304/4885MEN1 3653/4885AR 4194/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KMT2A 1304/4885MEN1 3653/4885AR 4194/4885

“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.