SCHEMBL4713381

SCHEMBL4713381

COc1cc(C(=O)C=CN(C)C)cc2c1OCCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.59
MAPT P10636 6/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.40
RECQL P46063 2/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL14040918 0.90 MAPT (0.56) PLK1MAPTLMNAALDH1A1POLB
SCHEMBL30330021 0.78 PLK1 (0.71) PLK1LMNAALDH1A1POLBKDM4E
SCHEMBL4715766 0.78 PLK1 (0.71) PLK1MAPTLMNAALDH1A1POLB
SCHEMBL6995732 0.78 PLK1 (0.71) PLK1LMNAALDH1A1POLBKDM4E
SCHEMBL11362484 0.76 PLK1 (0.69) PLK1MAPTLMNAALDH1A1POLB
SCHEMBL2796317 0.76 PLK1 (0.74) PLK1MAPTLMNAALDH1A1POLB
SCHEMBL11982142 0.76 PLK1 (0.69) PLK1MAPTLMNAALDH1A1POLB
SCHEMBL783240 0.76 MAPT (0.69) MAPTLMNAALDH1A1POLBHPGD
SCHEMBL805335 0.76 MAPT (0.69) MAPTLMNAALDH1A1POLBHPGD
SCHEMBL20472795 0.75 MAOB (0.60) MAPTLMNAALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed
US-6949544-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-09-27 US disclosed
US-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-08 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 (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-20030087922-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CDK2, LCK, CDK5 PLK1 215/4885MAPT 1864/4885LMNA 2326/4885

“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.