SCHEMBL19966274

SCHEMBL19966274

O=C1CN(C2CN(CC(=O)OCc3ccccc3)C2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ GLA P06280 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ GAA P10253 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ PRMT5 O14744 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR2C P28335 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
SCHEMBL5155980 0.85 GLA (0.47) KMT2AGLAL3MBTL1GAAALDH1A1
SCHEMBL18123325 0.84 SMN1; SMN2 (0.49) KMT2AGLAL3MBTL1GAAMAPK1
SCHEMBL19966275 0.80 MEN1 (0.39) KMT2AGLAL3MBTL1ALDH1A1MAPK1
SCHEMBL20323378 0.75 GLA (0.43) KMT2AGLAL3MBTL1GAAALDH1A1
SCHEMBL20323537 0.75 GLA (0.43) KMT2AGLAL3MBTL1GAAALDH1A1
SCHEMBL20323377 0.75 GLA (0.43) KMT2AGLAL3MBTL1GAAALDH1A1
SCHEMBL19966271 0.74 ALDH1A1 (0.53) KMT2AGLAL3MBTL1ALDH1A1MAPK1
SCHEMBL24251635 0.73 ALDH1A1 (0.59) KMT2AL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL28379360 0.73 GAA (0.44) KMT2AGLAL3MBTL1GAAALDH1A1
SCHEMBL6601404 0.73 EGFR (0.54) KMT2AGLAL3MBTL1ALDH1A1MAPK1

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
US-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-08 — — US disclosed
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 — — 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 (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-10174035-B2 6-morpholinyl-2-pyrazolyl-9H-purine derivatives and their use as PI3K inhibitors PIK3CA, AKT3, AKT2 KMT2A 3035/4885GLA 3604/4885L3MBTL1 4036/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 KMT2A 3035/4885GLA 3604/4885L3MBTL1 4036/4885

“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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