SCHEMBL19966275

SCHEMBL19966275

CN1CCN(C2CN(CC(=O)OCc3ccccc3)C2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ FKBP1A P62942 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
SCHEMBL18123323 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2TMEM97SIGMAR1
SCHEMBL19966274 0.80 KMT2A (0.45) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL21933859 0.76 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5058245 0.74 ALDH1A1 (0.51) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL19966271 0.74 ALDH1A1 (0.53) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL24251635 0.73 ALDH1A1 (0.59) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL1127697 0.73 PPARG (0.58) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL23054258 0.73 S1PR5 (0.57) KMT2AALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL19966273 0.72 ALDH1A1 (0.54) MEN1KMT2APOLBALDH1A1MAPK1
SCHEMBL955547 0.72 MEN1 (0.55) MEN1KMT2AL3MBTL1SMN1; SMN2TMEM97

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 MEN1 2966/4885KMT2A 3035/4885POLB 942/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 MEN1 2966/4885KMT2A 3035/4885POLB 942/4885

“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.

Send feedback