SCHEMBL22004970

SCHEMBL22004970

Cc1nc2cc[nH]c2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ AHR P35869 3/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ NR4A2 P43354 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ APP P05067 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL11985801 0.80 BRD4 (0.41) HPGDALDH1A1BRD4CYP3A4MAPK1
SCHEMBL21060120 0.77 TDP1 (0.48) ALDH1A1CSNK2A1BRD4AHRCYP2A6
SCHEMBL30316924 0.77 CSNK2A1 (0.39) HPGDALDH1A1CSNK2A1AHRCYP2A6
SCHEMBL30675146 0.77 TDP1 (0.48) ALDH1A1CSNK2A1BRD4AHRCYP2A6
SCHEMBL19701194 0.77 CSNK2A1 (0.43) HPGDALDH1A1CSNK2A1BRD4AHR
SCHEMBL22732074 0.77 CSNK2A1 (0.47) ALDH1A1CSNK2A1AHRCYP2A6NR4A2
SCHEMBL30317205 0.76 ALDH1A1 (0.33) HPGDALDH1A1APOBEC3GCSNK2A1BRD4
SCHEMBL30317206 0.76 ALDH1A1 (0.33) HPGDALDH1A1APOBEC3GCSNK2A1BRD4
SCHEMBL21672437 0.76 BRD4 (0.38) HPGDALDH1A1BRD4CYP2A6CYP3A4
SCHEMBL21743424 0.74 BRD4 (0.37) HPGDALDH1A1LMNABRD4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS Janssen Pharmaceutlca NV (BE) 2020-05-21 — — US 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 (1 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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS OGA, PSEN1, PSEN2 HPGD 3346/4885ALDH1A1 2667/4885LMNA 777/4885

“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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