SCHEMBL19207281

SCHEMBL19207281

O=C(O)c1cc(Br)nc(-c2ccc(F)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.54
▸ ALPL P05186 1/20 0.54
▸ RPA1 P27694 1/20 0.54
▸ MCL1 Q07820 2/20 0.50
▸ BCL2L1 Q07817 1/20 0.50
▸ BAD Q92934 1/20 0.50
▸ CTRC Q99895 3/20 0.49
▸ NR4A2 P43354 1/20 0.47
▸ DHODH Q02127 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ PIK3CA P42336 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ ADORA1 P30542 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL730762 0.88 CTRC (0.60) CA12ALPLRPA1MCL1BCL2L1
SCHEMBL23698038 0.84 CTRC (0.69) CA12ALPLMCL1CTRCADORA3
SCHEMBL19207313 0.82 NPC1 (0.51) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL30738328 0.81 BCL2L1 (0.50) CA12ALPLRPA1MCL1BCL2L1
SCHEMBL28598620 0.81 BCL2L1 (0.50) CA12ALPLRPA1MCL1BCL2L1
SCHEMBL10922370 0.79 CTRC (0.77) CA12ALPLRPA1MCL1BCL2L1
SCHEMBL19258920 0.79 ADORA3 (0.45) ADORA3ADORA2AADORA1ALDH1A1SCN9A
SCHEMBL18389333 0.79 MAPT (0.46) ADORA3ADORA2AADORA1KDM4EALDH1A1
SCHEMBL10921445 0.78 MCL1 (0.74) MCL1CTRC
Nitrous Acid SCHEMBL28598619 0.76 CA12 (0.46) CA12ALPLRPA1MCL1BCL2L1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473462-B Pyrazole-pyridine derivatives as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2021-06-22 — — CN disclosed
EP-3411365-B1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-11-20 — — EP disclosed
US-10457663-B2 Pyrazol-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-10-29 — — US disclosed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 — — EP disclosed
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-11-29 — — US disclosed
CN-108473462-A Pyrazoles-pyridine derivate as EAAT3 inhibitor 豪夫迈·罗氏有限公司 2018-08-31 — — CN disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 — — 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 (2 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-10457663-B2 Pyrazol-pyridine derivatives MC3R, MC2R, DRD3 CA12 2865/4885ALPL 4856/4885RPA1 3057/4885
US-20180339975-A1 PYRAZOL-PYRIDINE DERIVATIVES MC3R, MC2R, DRD3 CA12 2865/4885ALPL 4856/4885RPA1 3057/4885

“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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