SCHEMBL19030759

SCHEMBL19030759

CC1(Cc2ccccc2C(=O)O)CCc2cc([N+](=O)[O-])c(Cl)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ SLC25A1 P53007 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ RXRA P19793 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ VCAM1 P19320 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL19030567 0.79 ALDH1A1 (0.39) MAPTKMT2AAKR1B1LMNAALDH1A1
SCHEMBL19030760 0.77 TSHR (0.44) MAPTMEN1KMT2AFABP4SLC25A1
SCHEMBL19030430 0.72 AKR1B1 (0.41) AKR1B1ALDH1A1TSHRVCAM1
SCHEMBL19030436 0.68 AKR1B1 (0.39) MEN1KMT2AAKR1B1LMNAALDH1A1
SCHEMBL19030448 0.68 AKR1B1 (0.46) MAPTMEN1KMT2AAKR1B1LMNA
SCHEMBL19030214 0.65 CYP1A2 (0.42) MAPTMEN1KMT2AAKR1B1LMNA
SCHEMBL19030238 0.64 AKR1B1 (0.42) MAPTMEN1KMT2AAKR1B1LMNA
SCHEMBL19030794 0.63 CYP1A2 (0.38) MAPTMEN1KMT2AAKR1B1LMNA
SCHEMBL10487711 0.62 GRIA2 (0.45) SLC25A1ALDH1A1TSHRVCAM1SMN1; SMN2
SCHEMBL11872499 0.62 TSHR (0.43) MAPTMEN1KMT2APLA2G1BATG4B

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 MAPT 1916/4885MEN1 3879/4885KMT2A 1557/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 MAPT 2319/4885MEN1 3780/4885KMT2A 1960/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 MAPT 1916/4885MEN1 3879/4885KMT2A 1557/4885

“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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