SCHEMBL23059291

SCHEMBL23059291

CC(C)(C)Cn1ncc2c(N)nc(N3CCOCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ PIK3CA P42336 12/20 0.40
▸ MTOR P42345 9/20 0.40
▸ PIK3R1 P27986 9/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ ABL1 P00519 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37

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
SCHEMBL23059280 0.77 KMT2A (0.46) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL15354465 0.76 ALDH1A1 (0.49) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1360076 0.76 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL23059278 0.74 PDE2A (0.36) KDM4EALDH1A1
SCHEMBL15353802 0.74 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL179429 0.73 PI4KA (0.51) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16684483 0.71 PIK3CA (0.37) PIK3CAMTORPIK3R1HTR2CPIK3CD
SCHEMBL19140821 0.71 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL11980073 0.69 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL11980071 0.68 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — 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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB KDM4E 1756/4885ALDH1A1 3671/4885GLA 3226/4885

“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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