SCHEMBL19030352

SCHEMBL19030352

CC1(C)OCC2(CO1)Cc1cc([N+](=O)[O-])c(Cl)cc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ PGK1 P00558 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SLC9A1 P19634 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KCNA4 P22459 1/20 0.33
▸ KCNA1 Q09470 1/20 0.33
▸ KCNAB1 Q14722 1/20 0.33
▸ VCAM1 P19320 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ HTT P42858 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
SCHEMBL19030214 0.81 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19LMNAPGK1
SCHEMBL19030436 0.79 AKR1B1 (0.39) CYP1A2CYP2C9CYP2C19LMNAPGK1
SCHEMBL23110710 0.78 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1AKR1B1
SCHEMBL19030430 0.78 AKR1B1 (0.41) CYP1A2CYP2C9CYP2C19PGK1ALDH1A1
SCHEMBL19030796 0.78 MAPT (0.45) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL19046264 0.76 — —
SCHEMBL19045620 0.76 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19LMNAPGK1
SCHEMBL19030794 0.75 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19LMNAPGK1
SCHEMBL19030448 0.75 AKR1B1 (0.46) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL19030687 0.75 AKR1B1 (0.41) CYP1A2CYP2C9CYP2C19LMNAALDH1A1

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-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 — — 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

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 CYP1A2 2752/4885CYP2C9 3030/4885CYP2C19 2668/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 CYP1A2 2674/4885CYP2C9 3095/4885CYP2C19 2754/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 CYP1A2 2752/4885CYP2C9 3030/4885CYP2C19 2668/4885

“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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