SCHEMBL16147113

SCHEMBL16147113

NCC1CCN(c2ccc(Cl)cc2N)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.51
HRH4 Q9H3N8 2/20 0.48
BPTF Q12830 1/20 0.46
IRAK4 Q9NWZ3 3/20 0.45
NOTUM Q6P988 2/20 0.43
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
PTPN11 Q06124 1/20 0.40
MAOB P27338 1/20 0.39
HTR6 P50406 1/20 0.39
MDM2 Q00987 1/20 0.38
IRAK1 P51617 2/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL16146819 0.91 ALDH1A1 (0.59) KDM4EHTTALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL16146322 0.90 ALDH1A1 (0.62) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL359961 0.87 KDM4E (0.51) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL363875 0.85 KDM4E (0.49) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL23251403 0.81 ALDH1A1 (0.55) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL23251388 0.81 ALDH1A1 (0.55) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL357944 0.81 KDM4E (0.58) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL29977999 0.81 KDM4E (0.58) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL16146289 0.80 HTT (0.57) KDM4EHTTALDH1A1LMNAPOLB
SCHEMBL31669179 0.80 HTT (0.57) KDM4EHTTALDH1A1LMNAPOLB

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885ALDH1A1 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.