SCHEMBL19946594

SCHEMBL19946594

CN(C)C(=O)c1nc2c(N3CCOCC3)nc(Cl)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
HDAC1 Q13547 1/20 0.41
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CA P42336 4/20 0.38
MTOR P42345 2/20 0.38
PIK3CG P48736 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
PIK3CB P42338 2/20 0.35
SLC29A1 Q99808 1/20 0.35

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
SCHEMBL9937094 0.85 HDAC1 (0.41) PIK3CDHDAC1ALDH1A1PIK3CAMTOR
SCHEMBL19946533 0.85 HDAC1 (0.38) PIK3CDHDAC1HSD17B10ALDH1A1ALOX15
SCHEMBL18123334 0.85 POLB (0.38) PIK3CDHDAC1HSD17B10ALDH1A1PIK3CA
SCHEMBL20922035 0.81 HDAC1 (0.36) PIK3CDHDAC1HSD17B10ALDH1A1ALOX15
SCHEMBL18123302 0.80 ALDH1A1 (0.42) HSD17B10ALDH1A1ALOX15TP53PIK3CA
SCHEMBL25229494 0.78 SMN1; SMN2 (0.42) HDAC1HSD17B10ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30670406 0.78 SMN1; SMN2 (0.38) PIK3CDHDAC1PIK3CAMTORPIK3CG
SCHEMBL1113965 0.78 SMN1; SMN2 (0.38) PIK3CDHDAC1PIK3CAMTORPIK3CG
SCHEMBL19946562 0.77 PIK3CD (0.74) PIK3CD
SCHEMBL3325399 0.77 SMN1; SMN2 (0.41) HDAC1ALDH1A1ALOX15PIK3CASMN1; SMN2

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
EP-3277682-B1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO CO LTD (JP) 2019-04-24 EP disclosed
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 PIK3CD 5/4885HDAC1 981/4885HSD17B10 3405/4885
US-20180072732-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS PIK3CA, AKT3, AKT2 PIK3CD 5/4885HDAC1 981/4885HSD17B10 3405/4885

“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.