SCHEMBL3174355

SCHEMBL3174355

Cn1ncc2c(Nc3ccc(C(N)=O)cc3)nc(Nc3ccc(NC(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)cc3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.56
JAK2 O60674 1/20 0.49
LRRK2 Q5S007 1/20 0.49
EPHX2 P34913 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR2C P28335 1/20 0.47
HPGD P15428 3/20 0.47
PTK2 Q05397 2/20 0.47
SYK P43405 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL3165001 0.91 EPHX2 (0.51) BTKLRRK2EPHX2KDM4EALDH1A1
SCHEMBL3174414 0.88 EPHX2 (0.48) BTKEPHX2KDM4EALDH1A1MEN1
SCHEMBL3170599 0.87 PIK3CA (0.47) BTKKDM4EALDH1A1MEN1MAPT
SCHEMBL3171195 0.84 KDM4E (0.46) BTKJAK2KDM4EALDH1A1MEN1
SCHEMBL3174174 0.81 BCDIN3D (0.55) JAK2KDM4EALDH1A1MEN1MAPT
SCHEMBL3172745 0.81 KDM4E (0.53) KDM4EALDH1A1MEN1MAPTMAPK1
SCHEMBL3172427 0.81 MAPT (0.54) KDM4EALDH1A1MEN1MAPTMAPK1
SCHEMBL3170549 0.80 KDM4E (0.49) KDM4EALDH1A1MEN1MAPTMAPK1
SCHEMBL3175624 0.78 MEN1 (0.48) KDM4EALDH1A1MEN1MAPTMAPK1
SCHEMBL3174529 0.78 KDM4E (0.48) KDM4EALDH1A1MEN1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011620-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) 2010-01-28 WO 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 claimed
WO-2010011620-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) 2010-01-28 WO disclosed
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 BTK 76/4885JAK2 17/4885LRRK2 554/4885

“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.