SCHEMBL19030760

SCHEMBL19030760

Cc1c(C(=O)O)cccc1C1(C)CCc2cc([N+](=O)[O-])c(Cl)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ FABP4 P15090 1/20 0.39
▸ AKR1B1 P15121 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ SLC25A1 P53007 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ HNF4A P41235 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ HPGD P15428 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
SCHEMBL19030759 0.77 MAPT (0.37) TSHRFABP4AKR1B1ALDH1A1SLC25A1
SCHEMBL19030567 0.69 ALDH1A1 (0.39) AKR1B1ALDH1A1NPC1KMT2ALMNA
SCHEMBL19030448 0.68 AKR1B1 (0.46) TSHRAKR1B1ALDH1A1NPC1RAB9A
SCHEMBL19030430 0.65 AKR1B1 (0.41) TSHRAKR1B1ALDH1A1
SCHEMBL19030214 0.65 CYP1A2 (0.42) TSHRAKR1B1ALDH1A1NPC1RAB9A
SCHEMBL33663 0.64 TSHR (1.00) TSHRALDH1A1DHODHMEN1KMT2A
SCHEMBL19030238 0.64 AKR1B1 (0.42) AKR1B1ALDH1A1NPC1RAB9AMEN1
SCHEMBL19030687 0.63 AKR1B1 (0.41) TSHRAKR1B1ALDH1A1MEN1KMT2A
SCHEMBL14993474 0.63 TSHR (0.53) TSHRALDH1A1SLC25A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5787034 0.63 TSHR (0.96) TSHRALDH1A1DHODHMEN1KMT2A

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 TSHR 3422/4885FABP4 2407/4885AKR1B1 1830/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 TSHR 2174/4885FABP4 2656/4885AKR1B1 1435/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 TSHR 3422/4885FABP4 2407/4885AKR1B1 1830/4885

“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