SCHEMBL19736841

SCHEMBL19736841

CCOC(=O)Cc1nc2ccc(N3CCOCC3)cn2c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ENPP2 Q13822 2/20 0.40
▸ SLC2A1 P11166 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL19736844 0.89 AKT1 (0.46) AKT1SIRT2SIRT1LMNAKDM4E
SCHEMBL19736820 0.83 SLC2A1 (0.40) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL19736839 0.80 SLC2A1 (0.46) LMNAKDM4EALDH1A1HPGDALOX15
SCHEMBL19736958 0.78 AKT1 (0.47) AKT1SIRT2SIRT1LMNAKDM4E
SCHEMBL19736740 0.76 PIK3C2B (0.47) —
SCHEMBL19736705 0.76 SLC2A1 (0.46) LMNAKDM4EALDH1A1HPGDALOX15
SCHEMBL19736821 0.75 SLC2A1 (0.41) SIRT2SIRT1LMNAKDM4EALDH1A1
SCHEMBL19736613 0.74 SLC2A1 (0.40) LMNAKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL6596281 0.74 LIPE (0.62) AKT1LMNAKDM4EALDH1A1MEN1
SCHEMBL19736840 0.73 SLC2A1 (0.46) KDM4EALDH1A1ALOX15HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-19 — — US disclosed
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-06-06 — — US disclosed
WO-2017216292-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 — — WO 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 (2 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-10894793-B2 Bicyclic pyridine, pyrazine, and pyrimidine derivatives as PI3K beta inhibitors PIK3CA, PIK3CD, PIK3CB AKT1 36/4885SIRT2 1331/4885SIRT1 1144/4885
US-20190169199-A1 BICYCLIC PYRIDINE, PYRAZINE, AND PYRIMIDINE DERIVATIVES AS PI3K BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB AKT1 36/4885SIRT2 1331/4885SIRT1 1144/4885

“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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