SCHEMBL19030436

SCHEMBL19030436

CCC1(C)Cc2cc([N+](=O)[O-])c(Cl)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PGK1 P00558 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ VCAM1 P19320 7/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32

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
SCHEMBL19030430 0.88 AKR1B1 (0.41) AKR1B1CYP1A2CYP2C9CYP2C19PGK1
SCHEMBL19030214 0.83 CYP1A2 (0.42) AKR1B1CYP1A2CYP2C9CYP2C19PGK1
SCHEMBL19030352 0.79 CYP1A2 (0.40) AKR1B1CYP1A2CYP2C9CYP2C19PGK1
SCHEMBL19045620 0.78 CYP1A2 (0.38) AKR1B1CYP1A2CYP2C9CYP2C19PGK1
SCHEMBL19030687 0.77 AKR1B1 (0.41) AKR1B1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19030448 0.77 AKR1B1 (0.46) AKR1B1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19030794 0.77 CYP1A2 (0.38) AKR1B1CYP1A2CYP2C9CYP2C19PGK1
SCHEMBL19030726 0.77 IRAK4 (0.46) AKR1B1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19030238 0.75 AKR1B1 (0.42) AKR1B1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL19030294 0.72 ESPL1 (0.46) AKR1B1CYP1A2CYP2C9CYP2C19ALDH1A1

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
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
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 AKR1B1 1830/4885CYP1A2 2752/4885CYP2C9 3030/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 AKR1B1 1435/4885CYP1A2 2674/4885CYP2C9 3095/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 AKR1B1 1830/4885CYP1A2 2752/4885CYP2C9 3030/4885

“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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