SCHEMBL21024142

SCHEMBL21024142

Cn1c(=O)n(C)c2c(F)c(C(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ BRPF1 P55201 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ GRM2 Q14416 2/20 0.32
▸ GLA P06280 1/20 0.31

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
SCHEMBL21024143 0.81 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL22822496 0.77 BCL6 (0.33) ALDH1A1MAOBGRM2
SCHEMBL19657563 0.77 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL17420996 0.75 PIK3CG (0.41) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL19657545 0.74 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL21024147 0.69 PARG (0.44) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL10212114 0.67 CA2 (0.39) SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL13355261 0.67 ALDH1A1 (0.47) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL31248628 0.67 HTT (0.37) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL17421052 0.66 JAK2 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2

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-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 — — US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 — — US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 — — US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 — — 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 (4 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-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 PIK3CD 3043/4885PIK3CA 2541/4885PIK3CB 2622/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 PIK3CD 3184/4885PIK3CA 2634/4885PIK3CB 2768/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 PIK3CD 3184/4885PIK3CA 2634/4885PIK3CB 2768/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 PIK3CD 3184/4885PIK3CA 2634/4885PIK3CB 2768/4885

“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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