SCHEMBL21497069

SCHEMBL21497069

COC(=O)c1ccc(Nc2nc(N)c3c(F)cccc3n2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36

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
SCHEMBL21497077 0.83 NPC1 (0.55) MAPTCA12CA1CA2CA7
SCHEMBL21497068 0.73 MEN1 (0.51) JAK1TYK2MAPTNPC1RAB9A
SCHEMBL9384941 0.68 MAPT (0.43) MAPTGAACA12CA1CA2
SCHEMBL21497067 0.66 MAPT (0.46) MAPTGAANPC1RAB9ATP53
SCHEMBL4190317 0.66 CXCR2 (0.57) MAPTGAACA12CA1CA2
SCHEMBL14503197 0.66 PTGS2 (0.55) MAPTGAACA12CA1CA2
SCHEMBL7926348 0.66 CA1 (0.65) MAPTGAACA12CA1CA2
SCHEMBL5457162 0.65 CA12 (0.40) MAPTGAACA12CA1CA2
SCHEMBL29433261 0.65 CA1 (0.69) MAPTGAACA12CA1CA2
SCHEMBL851097 0.65 CA1 (0.69) MAPTGAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 — — US disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 — — US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 — — WO disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 — — 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 (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-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B JAK1 4763/4885TYK2 3810/4885MAPT 2688/4885

“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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