SCHEMBL20987766

SCHEMBL20987766

CC(C)c1cncc(C(=O)N(C)CCN)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ CYP11B2 P19099 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ TBXAS1 P24557 2/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK2 P24941 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
SCHEMBL19156384 0.87 TLR9 (0.41) KMT2ACYP11B2MEN1HPGDLMNA
SCHEMBL17297327 0.81 HCAR2 (0.50) KMT2ACYP11B2MEN1KDM4EALDH1A1
SCHEMBL12015751 0.80 SMN1; SMN2 (0.41) KMT2ACYP11B2MEN1HPGDLMNA
SCHEMBL29337999 0.79 MEN1 (0.39) KMT2AMEN1HPGDLMNAGAA
SCHEMBL14754890 0.78 KMT2A (0.44) KMT2ACYP11B2MEN1KDM4EALDH1A1
SCHEMBL24904581 0.77 HPGD (0.47) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL14752177 0.77 ESRRG (0.40) KMT2ACYP11B2MEN1KDM4EALDH1A1
SCHEMBL23074454 0.77 KDM4E (0.54) KMT2ACYP11B2MEN1KDM4EALDH1A1
SCHEMBL19421517 0.76 KMT2A (0.52) KMT2AMEN1KDM4EALDH1A1PDK1
SCHEMBL12015754 0.73 MKNK1 (0.44) KMT2ACYP11B2MEN1HPGDLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888657-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2021-10-06 — — EP disclosed
US-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-05-09 — — 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-20190134040-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB KMT2A 757/4885CYP11B2 1606/4885MEN1 2517/4885

“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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