SCHEMBL22930554

SCHEMBL22930554

SSc1coc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.40
▸ MAOA P21397 4/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ FTO Q9C0B1 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CA2 P00918 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ADORA2B P29275 1/20 0.33
▸ CYP17A1 P05093 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33

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
SCHEMBL20651988 0.74 MAOB (0.41) MAOBMAOAPTPN1FTOCA2
SCHEMBL4066017 0.71 MAOB (0.35) MAOBMAOAPTPN1FTOCA2
SCHEMBL7434653 0.70 MAOB (0.44) MAOBMAOAPTPN1FTOCHRM2
SCHEMBL2490828 0.69 CHRM2 (0.50) MAOBMAOAPTPN1FTOCHRM2
SCHEMBL11639718 0.68 MAOB (0.51) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL8786734 0.68 MAOB (0.51) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL11394273 0.68 MAOB (0.51) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL9246490 0.66 MAOB (0.51) MAOBMAOAPTPN1KDM4EALDH1A1
SCHEMBL24682836 0.65 MAOB (0.44) MAOBMAOAPTPN1FTOCA2
SCHEMBL22955630 0.65 MAOB (0.44) MAOBMAOAPTPN1FTOCHRM2

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-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2021-02-02 — — 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-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB MAOB 2109/4885MAOA 2738/4885PTPN1 552/4885

“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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