SCHEMBL1726500

SCHEMBL1726500

CC(C)(C#N)c1ccc2c(c1)CCNC2=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.55
PARP11 Q9NR21 10/20 0.55
GRM5 P41594 8/20 0.48
PARP1 P09874 3/20 0.48
PDPK1 O15530 1/20 0.45

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
SCHEMBL13186636 0.84 PARP10 (0.36) PARP10PARP11GRM5PARP1
SCHEMBL1432009 0.83 PARP10 (0.63) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL1725257 0.81 PARP10 (0.59) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL1857006 0.80 CASP1 (0.47) GRM5
SCHEMBL1727568 0.79 PARP10 (0.58) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL793156 0.77 PARP10 (0.77) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL15727792 0.77 PARP10 (0.51) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL12077111 0.77 MAPK1 (0.44) PARP10PARP11
SCHEMBL30549705 0.75 PARP10 (0.68) PARP10PARP11GRM5PARP1PDPK1
SCHEMBL21317703 0.75 GRM5 (0.68) PARP10PARP11GRM5PARP1PDPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 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-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN PARP10 1555/4885PARP11 1177/4885GRM5 4536/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN PARP10 1163/4885PARP11 971/4885GRM5 3487/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN PARP10 1286/4885PARP11 960/4885GRM5 4030/4885

“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.