Sugi Predict

Sugi Predict / Compounds / SCHEMBL357840

SCHEMBL357840

SCHEMBL357840

NCC1CCN(c2[c]cc3cccnc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DKK1 O94907 1/20 0.44
▸ IRAK1 P51617 2/20 0.43
▸ IRAK4 Q9NWZ3 2/20 0.43
▸ PRKCQ Q04759 2/20 0.41
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ AKT2 P31751 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ BPTF Q12830 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL357898 0.88 IRAK1 (0.43) IRAK1IRAK4
SCHEMBL27666138 0.80 PDE10A (0.40) CHRNA7PTPN11CHEK2HTR6ALDH1A1
SCHEMBL359477 0.80 ALDH1A1 (0.40) IRAK4ALDH1A1
SCHEMBL27666223 0.77 COMT (0.36) CHRNA7
SCHEMBL12505482 0.77 PRKCQ (0.37) DKK1PRKCQAKT2SYKGSK3B
SCHEMBL12505484 0.76 IRAK1 (0.52) DKK1IRAK1IRAK4PRKCQROCK2
Hydrochloric Acid SCHEMBL12505461 0.75 IRAK1 (0.52) DKK1IRAK1IRAK4PRKCQROCK2
SCHEMBL27666010 0.73 FPR2 (0.38) ROCK2ROCK1
Hydrochloric Acid SCHEMBL28804983 0.71 IRAK4 (0.57) DKK1IRAK1IRAK4PRKCQROCK2
SCHEMBL27666280 0.69 KDM4E (0.48) HTR7HTR6ALDH1A1

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 17 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 claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 — — US claimed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 — — EP claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US claimed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US claimed
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 claimed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US claimed
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 claimed
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
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 DKK1 3139/4885IRAK1 2/4885IRAK4 1/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 DKK1 3139/4885IRAK1 2/4885IRAK4 1/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 DKK1 3139/4885IRAK1 2/4885IRAK4 1/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 DKK1 3139/4885IRAK1 2/4885IRAK4 1/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 DKK1 3139/4885IRAK1 2/4885IRAK4 1/4885

“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.