SCHEMBL17338741

SCHEMBL17338741

CCOC(=O)C1CCc2n[nH]c(C(C)C)c2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
LIMK1 P53667 1/20 0.39
POLB P06746 1/20 0.37
CDK2 P24941 1/20 0.36
FLT3 P36888 1/20 0.36
CCNA1 P78396 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
LIPE Q05469 1/20 0.34
IGF1R P08069 2/20 0.34
P2RX3 P56373 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22718643 0.72 PDK1 (0.39) PDK1LIMK1CDK2FLT3CCNA1
SCHEMBL19644337 0.72 PDK1 (0.43) PDK1LIMK1POLBCDK2FLT3
SCHEMBL408804 0.70 PDK1 (0.49) PDK1LIMK1POLBMEN1KMT2A
SCHEMBL406838 0.70 PDK1 (0.68) PDK1LIMK1MEN1KMT2AMAPT
SCHEMBL8094724 0.69 PDK1 (0.54) PDK1LIMK1POLBCDK2FLT3
SCHEMBL30807464 0.69 PDK1 (0.47) PDK1LIMK1POLBCDK2FLT3
SCHEMBL27138888 0.69 PDK1 (0.47) PDK1LIMK1POLBCDK2FLT3
SCHEMBL408718 0.68 PDK1 (0.47) PDK1LIMK1POLBMEN1KMT2A
SCHEMBL8096780 0.68 ALDH1A1 (0.46) PDK1LIMK1CDK2FLT3CCNA1
SCHEMBL8482518 0.68 PDK1 (0.49) PDK1LIMK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
EP-3154976-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME (US) 2019-07-24 EP disclosed
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2018-10-16 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
US-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP DOHME CORP. (US) 2017-04-27 US disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO disclosed
WO-2015188369-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2015-12-17 WO 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-20170114078-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA PDK1 509/4885LIMK1 3114/4885POLB 277/4885
US-10100064-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA PDK1 509/4885LIMK1 3114/4885POLB 277/4885

“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.