SCHEMBL360379

SCHEMBL360379

CN1CCN(c2ccc(Cl)cc2N)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 1.00
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
HTT P42858 2/20 0.67
LMNA P02545 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
MAPT P10636 2/20 0.60
RAD52 P43351 1/20 0.60
HSD17B10 Q99714 1/20 0.58
ADRA2C P18825 1/20 0.58
HRH4 Q9H3N8 3/20 0.54
HTR3A P46098 2/20 0.54
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
PTK2B Q14289 1/20 0.53
KMT2A Q03164 1/20 0.49
BCL2A1 Q16548 1/20 0.48
HTR6 P50406 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL14922275 0.83 POLB (0.71) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL360377 0.83 ALDH1A1 (0.93) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL358190 0.81 ALDH1A1 (0.96) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL2306566 0.81 ALDH1A1 (0.69) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL358396 0.81 ALDH1A1 (0.96) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL15954498 0.81 POLB (0.69) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL4433463 0.81 POLB (0.69) POLBKDM4EALDH1A1HTTLMNA
Hydrochloric Acid SCHEMBL23851874 0.80 ALDH1A1 (1.00) POLBKDM4EALDH1A1HTTLMNA
SCHEMBL8710759 0.80 ALDH1A1 (0.67) POLBKDM4EALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL31587551 0.80 ALDH1A1 (1.00) POLBKDM4EALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP 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
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
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 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 (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 POLB 1848/4885KDM4E 261/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 POLB 1848/4885KDM4E 261/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 POLB 1848/4885KDM4E 261/4885ALDH1A1 2519/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 POLB 1848/4885KDM4E 261/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 POLB 1848/4885KDM4E 261/4885ALDH1A1 2519/4885

“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.