SCHEMBL179551

SCHEMBL179551

C[C@H](n1ncc2c(N)ncnc21)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 6/20 0.54
PI4KA P42356 5/20 0.54
PI4K2B Q8TCG2 5/20 0.54
PI4K2A Q9BTU6 5/20 0.54
XDH P47989 7/20 0.46
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
EGFR P00533 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CD O00329 4/20 0.40

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
SCHEMBL15627374 1.00 PI4KB (0.54) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL23059282 1.00 PI4KB (0.54) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL12206789 0.83 PI4KB (0.61) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL243654 0.78 PI4KB (0.54) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL23059283 0.77 ADORA2A (0.33) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL23059277 0.77 ADORA2A (0.33) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL23059275 0.77 ADORA2A (0.33) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL29773082 0.73 PI4KA (0.61) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL156688 0.73 PI4KA (0.61) PI4KBPI4KAPI4K2BPI4K2AXDH
SCHEMBL23059276 0.73

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-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA PI4KB 44/4885PI4KA 35/4885PI4K2B 83/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PI4KB 8/4885PI4KA 4/4885PI4K2B 15/4885

“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.