SCHEMBL19030293

SCHEMBL19030293

CC1(C)Cc2cc([N+](=O)[O-])c(Cl)c(C#N)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.43
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTR2A P28223 1/20 0.33
GPR35 Q9HC97 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31

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
SCHEMBL19030017 0.78 IRAK4 (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29153752 0.77 ALDH1A1 (0.43) VCAM1MEN1KMT2AHTR2AGPR35
SCHEMBL29153754 0.73 ALDH1A1 (0.37) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL29153757 0.72 MALT1 (0.33) VCAM1NPC1RAB9ATLR9CYP1A2
SCHEMBL19030389 0.72 MAPT (0.41) VCAM1MEN1KMT2AGPR35CYP1A2
SCHEMBL10580482 0.72 ALDH1A1 (0.40) MEN1KMT2AGPR35NPC1RAB9A
SCHEMBL19045065 0.72 IRAK4 (0.35) HTR2AIRAK4
SCHEMBL19030214 0.70 CYP1A2 (0.42) VCAM1MEN1KMT2AGPR35NPC1
SCHEMBL21634428 0.70 MEN1 (0.39) MEN1KMT2AHTR2AGPR35CYP1A2
SCHEMBL8940068 0.69 GPR35 (0.35) HTR2AGPR35CYP1A2CYP2C9CYP2C19

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
CN-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 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 (3 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 VCAM1 1329/4885MEN1 3879/4885KMT2A 1557/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 VCAM1 1232/4885MEN1 3780/4885KMT2A 1960/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 VCAM1 1329/4885MEN1 3879/4885KMT2A 1557/4885

“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.