SCHEMBL3182731

SCHEMBL3182731

Cn1ncc2c(Nc3ccc(C(N)=O)cc3)nc(Nc3cccc(NC(=O)Nc4cccnc4)c3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
HSP90AA1 P07900 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
BCDIN3D Q7Z5W3 9/20 0.52
PIK3CA P42336 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RECQL P46063 2/20 0.45
ESYT2 A0FGR8 1/20 0.45
PLEKHG3 A1L390 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
SCHEMBL3174174 0.95 BCDIN3D (0.55) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3175497 0.85 MAPT (0.52) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3170666 0.84 MAPK1 (0.51) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3172427 0.80 MAPT (0.54) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3174353 0.80 MAPT (0.48) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3175530 0.79 MAPT (0.47) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3172745 0.79 KDM4E (0.53) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3165001 0.78 EPHX2 (0.51) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3181720 0.78 PIK3CA (0.63) MAPK1KDM4EMEN1MAPTKMT2A
SCHEMBL3175624 0.77 MEN1 (0.48) MAPK1KDM4EMEN1MAPTKMT2A

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 MAPK1 82/4885KDM4E 591/4885MEN1 2469/4885

“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.