SCHEMBL2065254

SCHEMBL2065254

CC(C)Nc1c(N)ncnc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
ADORA2B P29275 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 3/20 0.32
MAP4K4 O95819 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
CHEK1 O14757 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL11904205 0.86 TDP1 (0.38) TDP1GAAHTTMAP4K4CHEK1
SCHEMBL15357786 0.78 TDP1 (0.33) TDP1GAAHTTSMN1; SMN2KDM4E
SCHEMBL2063119 0.78 HTT (0.34) ADORA2AADORA1PI4KBPI4KAPI4K2B
SCHEMBL8174616 0.74 FGFR1 (0.41) GRM5HTTSMN1; SMN2KDM4EMEN1
SCHEMBL14386274 0.74 CHEK1 (0.37) PI4KBPI4KAPI4K2BPI4K2AGAA
SCHEMBL2480481 0.73 GALR3 (0.45) TDP1GAAHTTMAP4K4SMN1; SMN2
SCHEMBL31677413 0.73 GALR3 (0.36) ADORA2AADORA1ADORA2BPI4KBPI4KA
SCHEMBL2064331 0.73 GALR3 (0.36) ADORA2AADORA1ADORA2BPI4KBPI4KA
SCHEMBL6033524 0.69 ADORA2A (0.35) ADORA2AADORA1ADORA2BPI4KBPI4KA
SCHEMBL28145458 0.69 LIMK1 (0.33) GAAHTTCHEK1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 EP disclosed
US-8148387-B2 AKT and P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-04-03 US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR GRM5 3737/4885ADORA2A 2935/4885ADORA1 3231/4885

“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.