SCHEMBL21024143

SCHEMBL21024143

Cc1c(C(C)(C)C)ccc2c1n(C)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.35
▸ ATAD2 Q6PL18 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ BRPF1 P55201 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CREBBP Q92793 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GRM2 Q14416 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
SCHEMBL21024142 0.81 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL19657574 0.77 PDE3B (0.47) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL19657847 0.74 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL19657563 0.67 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL19287887 0.66 CA2 (0.41) ALDH1A1SMN1; SMN2HSD17B10KDM4ETP53
SCHEMBL16519582 0.66 ALKBH5 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL21024138 0.66 ATAD2 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL31248628 0.65 HTT (0.37) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL8279315 0.64 ALDH1A1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL8279209 0.63 — —

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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