SCHEMBL10259263

SCHEMBL10259263

CB(O)NCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10254666 0.86 IRAK1 (0.46) ALDH1A1MAPTTDP1TP53
SCHEMBL10280429 0.84 TAAR1 (0.51) TAAR1MEN1KMT2AGAAALDH1A1
SCHEMBL358097 0.83 TAAR1 (0.49) TAAR1MEN1KMT2AGAAALDH1A1
SCHEMBL10259324 0.73 CTSB (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8303947 0.70 ALDH1A1 (0.71) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL16146269 0.70 IRAK1 (0.60) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10280428 0.69 IRAK1 (0.45) TAAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL11972772 0.69 MEN1 (0.90) MEN1KMT2AGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL16146311 0.69 IRAK1 (0.59) ALDH1A1MAPTTP53
SCHEMBL28954877 0.69 TAAR1 (0.58) TAAR1MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US 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 (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 TAAR1 1577/4885MEN1 3338/4885KMT2A 597/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 TAAR1 1577/4885MEN1 3338/4885KMT2A 597/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 TAAR1 1577/4885MEN1 3338/4885KMT2A 597/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 TAAR1 1577/4885MEN1 3338/4885KMT2A 597/4885

“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.