SCHEMBL3170599

SCHEMBL3170599

CN(C)C1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(Nc4nc(Nc5ccc(C(N)=O)cc5)c5cnn(C)c5n4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.47
MTOR P42345 7/20 0.47
PIK3CD O00329 1/20 0.47
PIK3C2B O00750 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
BCDIN3D Q7Z5W3 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL3 Q96JM7 2/20 0.43
BTK Q06187 1/20 0.43
SYK P43405 1/20 0.42
JAK1 P23458 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL3171195 0.95 KDM4E (0.46) PIK3CAMTORPIK3CDPIK3C2BPIK3CB
SCHEMBL3165001 0.88 EPHX2 (0.51) PIK3CAMTORPIK3CGBCDIN3DKDM4E
SCHEMBL3174355 0.87 BTK (0.56) PIK3CAMTORPIK3CGKDM4EMEN1
SCHEMBL3174414 0.85 EPHX2 (0.48) PIK3CAMTORPIK3CGBCDIN3DKDM4E
SCHEMBL3172745 0.82 KDM4E (0.53) BCDIN3DKDM4EMEN1ALDH1A1MAPT
SCHEMBL3170549 0.81 KDM4E (0.49) BCDIN3DKDM4EMEN1ALDH1A1MAPT
SCHEMBL3174529 0.80 KDM4E (0.48) PIK3CAMTORPIK3CGBCDIN3DKDM4E
SCHEMBL3170558 0.80 MAPT (0.50) BCDIN3DKDM4EMEN1ALDH1A1MAPT
SCHEMBL3174174 0.79 BCDIN3D (0.55) PIK3CABCDIN3DKDM4EMEN1ALDH1A1
SCHEMBL3175624 0.79 MEN1 (0.48) BCDIN3DKDM4EMEN1ALDH1A1MAPT

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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 US claimed
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885PIK3CD 3/4885

“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.