SCHEMBL25487362

SCHEMBL25487362

COC(=O)c1cc2c(Cl)c(/C(C)=C(/C)c3ccc(B(O)O)cc3)cnc2cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 8/20 0.36
▸ NUDT1 P36639 4/20 0.36
▸ EGFR P00533 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CA2 P00918 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ CSNK2A1 P68400 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
SCHEMBL23884441 0.78 EGFR (0.38) CSF1RNUDT1EGFRTSHRHTT
SCHEMBL23884623 0.73 TSHR (0.39) CSF1RNUDT1EGFRTSHRHTT
SCHEMBL21200688 0.68 KDM4E (0.42) CSF1REGFRMAPTKDM4E
SCHEMBL23906423 0.66 SLC6A4 (0.40) CSF1RTSHRHTTMAPT
SCHEMBL30251769 0.66 SLC6A4 (0.40) CSF1RTSHRHTTMAPT
SCHEMBL363322 0.66 CA1 (0.43) TSHRCA2MAPTKDM4E
SCHEMBL237491 0.66 ALDH1A1 (0.43) TSHRCA2MAPTKDM4E
SCHEMBL29597336 0.66 ALDH1A1 (0.43) TSHRCA2MAPTKDM4E
SCHEMBL20442235 0.66 NR4A2 (0.47) TSHRHTTMAPTKDM4E
SCHEMBL27286640 0.65 EGFR (0.44) CSF1RNUDT1EGFRTSHRHTT

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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — 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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 CSF1R 2469/4885NUDT1 1590/4885EGFR 4876/4885

“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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