SCHEMBL359524

SCHEMBL359524

Nc1cc(Cl)ccc1N1CCCCC1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.46
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
MDM2 Q00987 1/20 0.41
TYMP P19971 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CUL4A Q13619 1/20 0.39
CDK1 P06493 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
FFAR1 O14842 2/20 0.37
MAP2K7 O14733 1/20 0.36
SPHK2 Q9NRA0 1/20 0.36

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
SCHEMBL29978692 0.86 KDM4E (0.50) KDM4EHTTLMNAALDH1A1POLB
SCHEMBL23043609 0.86 KDM4E (0.50) KDM4EHTTLMNAALDH1A1POLB
SCHEMBL12505423 0.82 GFER (0.51) KDM4EHTTALDH1A1IRAK4GAA
SCHEMBL28747213 0.80 KEAP1 (0.46) GAATYMPKMT2ACUL4AMAP2K7
SCHEMBL21135576 0.76 FFAR1 (0.53) KDM4EHTTGAAL3MBTL1TYMP
SCHEMBL3179170 0.76 MAP2K7 (0.49) KDM4EHTTIRAK4GAAL3MBTL1
SCHEMBL9899369 0.75 NR1I2 (0.38) KDM4EHTTIRAK4GAAL3MBTL1
SCHEMBL9899367 0.75 NR1I2 (0.38) KDM4EHTTIRAK4GAAL3MBTL1
SCHEMBL12067050 0.75 MAPT (0.46) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL3435705 0.75 NR1I2 (0.44) GAAKMT2ACDK1

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 11 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
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 KDM4E 261/4885HTT 3990/4885LMNA 2020/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885LMNA 2020/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885LMNA 2020/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885LMNA 2020/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 KDM4E 261/4885HTT 3990/4885LMNA 2020/4885

“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.