SCHEMBL3564110

SCHEMBL3564110

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(C#N)n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.67
CTSS P25774 11/20 0.67
KIF11 P52732 1/20 0.45
KCNH2 Q12809 3/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
RAD51 Q06609 1/20 0.42
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL3569976 0.83 CTSK (0.64) CTSKCTSSKIF11KCNH2CTSL
SCHEMBL4453855 0.80 CTSK (1.00) CTSKCTSS
SCHEMBL3568417 0.80 ALDH1A1 (0.50) CTSKCTSS
SCHEMBL3558614 0.79 CTSK (0.60) CTSKCTSSKIF11KCNH2CTSL
SCHEMBL1509844 0.79 CTSK (0.62) CTSKCTSS
SCHEMBL16804872 0.79 RAD51 (0.47) CTSKCTSSKIF11RAD51ADORA3
SCHEMBL15533905 0.76 RAD51 (0.45) CTSKCTSSKIF11RAD51ADORA3
SCHEMBL19262265 0.76 RAD51 (0.45) CTSKCTSSKIF11RAD51ADORA3
SCHEMBL3561445 0.76 ALDH1A1 (0.47) CTSKCTSSKIF11RAD51ADORA3
SCHEMBL16005299 0.76 KIF11 (0.61) CTSKCTSSKIF11KCNH2RAD51

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289508-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2020-09-17 US disclosed
US-10010551-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2018-07-03 US disclosed
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2017-10-26 US disclosed
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2017-10-26 US disclosed
US-9737536-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2017-08-22 US disclosed
US-9737536-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2017-08-22 US disclosed
EP-3106464-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2016-12-21 EP disclosed
US-20160263115-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2016-09-15 US disclosed
US-20160263115-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2016-09-15 US disclosed
EP-2861594-B1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS (GB) 2016-08-24 EP disclosed
WO-2013175206-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-11-28 WO disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 EP disclosed
CN-102516161-A Pyridine and pyrimidine derivatives as mglur2 antagonists HOFFMANN LA ROCHE 2012-06-27 CN disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 US disclosed
CN-101415681-A Pyridine and pyrimidine derivatives as mGluR2 antagonists HOFFMANN LA ROCHE (CH) 2009-04-22 CN disclosed
EP-2001849-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
WO-2007110337-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 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 (6 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 CTSK 3987/4885CTSS 4230/4885KIF11 3845/4885
US-20200289508-A1 NOVEL PYRIMIDINYL-DIAZOSPIRO COMPOUNDS TRPV1, KCNJ2, KCNN2 CTSK 4404/4885CTSS 4388/4885KIF11 4014/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 CTSK 4317/4885CTSS 4655/4885KIF11 3339/4885
US-20160263115-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, SCN1A CTSK 4368/4885CTSS 4443/4885KIF11 4088/4885
US-10010551-B2 Pyrimidinyl-diazospiro compounds KCNJ2, TRPV1, SCN2A CTSK 4405/4885CTSS 4417/4885KIF11 4333/4885
US-20170304303-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, KCNN2 CTSK 4442/4885CTSS 4425/4885KIF11 4176/4885

“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.