SCHEMBL19030770

SCHEMBL19030770

CC1(C)Cc2cc([N+](=O)[O-])c(O)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ GPR35 Q9HC97 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ ALOX12 P18054 1/20 0.40

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
SCHEMBL19030032 0.82 ALDH1A1 (0.40) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19030479 0.82 ESPL1 (0.44) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL19030214 0.82 CYP1A2 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19030742 0.80 MAPT (0.45) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL19030139 0.79 SIRT6 (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL19030704 0.78 CYP1A2 (0.39) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19030389 0.78 MAPT (0.41) KMT2AMEN1ALDH1A1MAPTGPR35
SCHEMBL19030289 0.78 IRAK4 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19030753 0.78 ALDH1A1 (0.37) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19029884 0.78 ALDH1A1 (0.37) KMT2AMEN1NPC1RAB9AALDH1A1

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 KMT2A 1557/4885MEN1 3879/4885NPC1 2241/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 KMT2A 1960/4885MEN1 3780/4885NPC1 2815/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 KMT2A 1557/4885MEN1 3879/4885NPC1 2241/4885

“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.

Send feedback