SCHEMBL4765090

SCHEMBL4765090

COc1ccc(Nc2nc(NC3CCC(CN)CC3)c3nc[nH]c3n2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.46
PDGFRA P16234 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CRHR1 P34998 1/20 0.44
GAA P10253 2/20 0.43
MERTK Q12866 3/20 0.41
FLT3 P36888 2/20 0.41
TYRO3 Q06418 2/20 0.41
GAS6 Q14393 2/20 0.41
MAPK6 Q16659 1/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40
AXL P30530 1/20 0.40
LRRK2 Q5S007 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL4766022 0.89 TTK (0.52) TTKGAAMERTKMAPTNPSR1
SCHEMBL4766150 0.88 TTK (0.54) TTKGAAMERTKMAPTNPSR1
SCHEMBL3259852 0.86 CNR2 (0.44) TTKPDGFRACCNE1CDK2CRHR1
SCHEMBL4976944 0.86 CNR2 (0.44) TTKPDGFRACCNE1CDK2CRHR1
SCHEMBL3259857 0.86 CNR2 (0.44) TTKPDGFRACCNE1CDK2CRHR1
SCHEMBL4766125 0.86 TTK (0.51) TTKGAAMAPTNPSR1LRRK2
SCHEMBL4974279 0.84 NQO2 (0.41) TTKPDGFRACCNE1CDK2CRHR1
SCHEMBL2954902 0.81 TTK (0.45) TTKGAAMERTKMAPTNPSR1
SCHEMBL4766351 0.81 TTK (0.45) TTKGAAMERTKMAPTNPSR1
SCHEMBL4766346 0.81 GAA (0.43) TTKGAAMERTKFLT3MAPT

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 TTK 4589/4885PDGFRA 2973/4885CCNE1 3690/4885

“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.