SCHEMBL360310

SCHEMBL360310

CC(C)(C)OC(=O)NC1CCC(Oc2ccc(Cl)cc2N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.50
CACNA1A O00555 1/20 0.50
CACNA1G O43497 1/20 0.50
CACNG3 O60359 1/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1H O95180 1/20 0.50
CACNB3 P54284 1/20 0.50
CACNA2D1 P54289 1/20 0.50
CACNG7 P62955 1/20 0.50
CACNA1B Q00975 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNB1 Q02641 1/20 0.50
CACNG1 Q06432 1/20 0.50
CACNB2 Q08289 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
CACNA1E Q15878 1/20 0.50
CACNA2D4 Q7Z3S7 1/20 0.50
CACNA2D3 Q8IZS8 1/20 0.50
CACNG8 Q8WXS5 1/20 0.50

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
SCHEMBL2104756 0.84 RORC (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15599602 0.84 BTK (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1014625 0.84 BTK (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1014626 0.84 BTK (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15599532 0.81 BTK (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL16989725 0.81 BTK (0.44) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL21663433 0.80 PDE4B (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL29730675 0.80 KDM1A (0.42) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL13419727 0.80 GPR119 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL4437152 0.78 POLB (0.48) DRD2DRD3NPC1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CACNB4 3797/4885CACNA1A 3794/4885CACNA1G 4590/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CACNB4 3797/4885CACNA1A 3794/4885CACNA1G 4590/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CACNB4 3797/4885CACNA1A 3794/4885CACNA1G 4590/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CACNB4 3797/4885CACNA1A 3794/4885CACNA1G 4590/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 CACNB4 3797/4885CACNA1A 3794/4885CACNA1G 4590/4885

“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.