SCHEMBL19030475

SCHEMBL19030475

COc1ccc(CN(C)c2cnc3c(C(=O)O)cnn3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ALKBH1 Q13686 1/20 0.40
▸ ASPH Q12797 2/20 0.40
▸ KDM8 Q8N371 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39

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
SCHEMBL19030088 0.89 PDE2A (0.51) PDE2APTPN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL19046067 0.82 PDE2A (0.43) PDE2APTPN1ALDH1A1PARP1MEN1
SCHEMBL4474846 0.76 KDR (0.65) PDE2AKDM4EALDH1A1KMT2AEGLN1
SCHEMBL23728561 0.75 KDM4E (0.42) PDE2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL359148 0.75 HSD11B1 (0.52) PDE2AKDM4EALDH1A1
SCHEMBL26098304 0.71 PTPN1 (0.49) PDE2APTPN1KDM4EALDH1A1ASPH
SCHEMBL30612393 0.70 PTPN1 (0.43) PTPN1KDM4EALDH1A1MAPK1USP2
SCHEMBL30612392 0.67 KDM4E (0.49) PDE2APTPN1KDM4EALDH1A1MAPK1
SCHEMBL18208530 0.67 PDE2A (0.45) PDE2AKDM4EALDH1A1MEN1KMT2A
SCHEMBL19302284 0.67 PYCR1 (0.53) ALDH1A1PARP1SMN1; SMN2ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 — — US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 — — EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 — — US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 — — 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 PDE2A 2532/4885PTPN1 292/4885KDM4E 463/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 PDE2A 2124/4885PTPN1 247/4885KDM4E 662/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 PDE2A 2532/4885PTPN1 292/4885KDM4E 463/4885

“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.

Send feedback