SCHEMBL16146168

SCHEMBL16146168

NC(=O)c1nc2ccccc2n1CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CXCR4 P61073 1/20 0.50
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TLR8 Q9NR97 2/20 0.46
▸ LMNA P02545 2/20 0.45

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
SCHEMBL28377075 0.87 TLR8 (0.62) CNR2ALDH1A1KDM4ERECQLSMN1; SMN2
SCHEMBL28378028 0.86 TLR8 (0.63) CNR2ALDH1A1POLBKDM4ERECQL
SCHEMBL28372897 0.85 TLR8 (0.64) CNR2ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL28373626 0.85 TLR8 (0.64) CNR2ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL28378368 0.85 TLR8 (0.64) CNR2ALDH1A1POLBRECQLSMN1; SMN2
SCHEMBL28377715 0.84 ALDH1A1 (0.72) ALDH1A1POLBKDM4ERECQLSMN1; SMN2
SCHEMBL31008799 0.80 CYP1A2 (0.58) ALDH1A1POLBKDM4ERECQLSMN1; SMN2
SCHEMBL21714268 0.79 POLB (0.61) ALDH1A1POLBKDM4ERECQLSMN1; SMN2
SCHEMBL3797941 0.78 CXCR4 (0.81) POLBCXCR4KMT2AMEN1HTT
SCHEMBL4784826 0.78 CYP2C19 (0.57) ALDH1A1POLBKDM4ESMN1; SMN2KMT2A

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-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 CNR2 3022/4885ALDH1A1 2519/4885POLB 1848/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CNR2 3022/4885ALDH1A1 2519/4885POLB 1848/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CNR2 3022/4885ALDH1A1 2519/4885POLB 1848/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 CNR2 3022/4885ALDH1A1 2519/4885POLB 1848/4885

“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.

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