SCHEMBL3174174

SCHEMBL3174174

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 7/20 0.55
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTR2C P28335 2/20 0.47
PIK3CA P42336 2/20 0.46

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
SCHEMBL3182731 0.95 MAPK1 (0.53) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3175497 0.90 MAPT (0.52) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3170666 0.89 MAPK1 (0.51) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3172427 0.85 MAPT (0.54) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3172745 0.83 KDM4E (0.53) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3165001 0.83 EPHX2 (0.51) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3174529 0.81 KDM4E (0.48) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3174355 0.81 BTK (0.56) MAPTKDM4EMEN1MAPK1KMT2A
SCHEMBL3175624 0.81 MEN1 (0.48) BCDIN3DMAPTKDM4EMEN1MAPK1
SCHEMBL3174353 0.81 MAPT (0.48) BCDIN3DMAPTKDM4EMEN1MAPK1

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 6 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-7652015-B2 Suppression cytokines , tumor necrosis factor ELI LILLY AND COMPANY (US) 2010-01-26 US 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
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 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-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 BCDIN3D 1264/4885MAPT 1620/4885KDM4E 591/4885
US-20080269244-A1 Kinase Inhibitors MAP3K1, MAP3K20, MAP3K19 BCDIN3D 2112/4885MAPT 2487/4885KDM4E 744/4885

“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.