SCHEMBL19030880

SCHEMBL19030880

CC1(C)CSc2cc(F)c([N+](=O)[O-])cc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.43
▸ ESPL1 Q14674 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MAPT P10636 5/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ VCAM1 P19320 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ AR P10275 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
SCHEMBL19046292 0.77 AKR1B1 (0.49) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL19030281 0.73 MAPT (0.42) PGRESPL1ALDH1A1HIF1AMAPT
SCHEMBL19030778 0.72 PGR (0.41) PGRESPL1ALDH1A1HIF1AMAPT
SCHEMBL30675683 0.71 HDAC1 (0.42) PGRESPL1ALDH1A1HIF1AMAPT
SCHEMBL20594535 0.68 ESPL1 (0.44) PGRESPL1ALDH1A1HIF1AMAPT
SCHEMBL4670199 0.66 TDP1 (0.62) ESPL1ALDH1A1HIF1AMAPTRAB9A
SCHEMBL2597079 0.65 ATM (0.41) PGRESPL1ALDH1A1HIF1AMAPT
SCHEMBL5651606 0.65 MAPK1 (0.43) PGRALDH1A1MAPTMEN1KMT2A
SCHEMBL9835657 0.64 PGR (0.46) PGRESPL1ALDH1A1HIF1AATM
SCHEMBL45486 0.64 TDP1 (0.60) ESPL1ALDH1A1HIF1AMAPTRAB9A

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 PGR 2440/4885ESPL1 4242/4885ALDH1A1 1146/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 PGR 2918/4885ESPL1 4469/4885ALDH1A1 1115/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 PGR 2440/4885ESPL1 4242/4885ALDH1A1 1146/4885

“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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