SCHEMBL23059280

SCHEMBL23059280

C[C@@H](n1ncc2c(N)nc(N3CCOCC3)nc21)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PIK3CA P42336 12/20 0.41
▸ PIK3R1 P27986 10/20 0.41
▸ MTOR P42345 9/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 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
SCHEMBL15353802 0.88 ALDH1A1 (0.47) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL15354465 0.88 ALDH1A1 (0.49) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL23059291 0.77 KDM4E (0.46) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL23059277 0.75 ADORA2A (0.33) KDM4E
SCHEMBL23059275 0.75 ADORA2A (0.33) KDM4E
SCHEMBL23059283 0.75 ADORA2A (0.33) KDM4E
SCHEMBL179448 0.74 PIK3CA (0.56) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL179421 0.74 PIK3CA (0.56) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL179420 0.74 PIK3CA (0.56) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL23059281 0.73 PDE8B (0.40) KMT2AKDM4E

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 KMT2A 1258/4885ALDH1A1 3671/4885HPGD 3314/4885

“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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