SCHEMBL19030567

SCHEMBL19030567

CC1(COC(=O)c2ccccc2)CCc2cc([N+](=O)[O-])c(Cl)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ AKR1B1 P15121 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RASGRP3 Q8IV61 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19030013 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDGAA
SCHEMBL19045812 0.81 NPC1 (0.35) ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL19030382 0.81 PPARA (0.40) LMNARASGRP3
SCHEMBL19030759 0.79 MAPT (0.37) ALDH1A1LMNAMAPTALOX12VCAM1
SCHEMBL19046101 0.73 ALDH1A1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL19046100 0.70 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL19030430 0.70 AKR1B1 (0.41) ALDH1A1VCAM1AKR1B1MAPK1
SCHEMBL19030760 0.69 TSHR (0.44) ALDH1A1LMNAMAPTALOX12AKR1B1
SCHEMBL19030436 0.68 AKR1B1 (0.39) ALDH1A1LMNAVCAM1AKR1B1MAPK1
SCHEMBL19030448 0.68 AKR1B1 (0.46) ALDH1A1LMNAMAPTVCAM1AKR1B1

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 6 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
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 ALDH1A1 1146/4885LMNA 3215/4885MAPT 1916/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 ALDH1A1 1115/4885LMNA 3773/4885MAPT 2319/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 ALDH1A1 1146/4885LMNA 3215/4885MAPT 1916/4885

“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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