SCHEMBL3348746

SCHEMBL3348746

Nc1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.67
CDK2 P24941 2/20 0.59
CCNT1 O60563 1/20 0.59
CCNA2 P20248 1/20 0.59
CDK9 P50750 1/20 0.59
NTRK1 P04629 6/20 0.50
KIT P10721 4/20 0.50
MAP3K11 Q16584 1/20 0.49
DYRK1A Q13627 4/20 0.48
CLK1 P49759 2/20 0.48
DYRK2 Q92630 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
IMPDH2 P12268 1/20 0.47
AXL P30530 1/20 0.46
TNIK Q9UKE5 1/20 0.46
PIK3CA P42336 3/20 0.45
JAK2 O60674 2/20 0.43
STK3 Q13188 2/20 0.43
IGF1R P08069 2/20 0.43
PLK4 O00444 1/20 0.43

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
SCHEMBL8320115 0.85 CDK8 (0.84) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL1487549 0.83 CDK8 (0.67) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL8324926 0.82 CDK8 (0.73) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL8321363 0.81 CDK8 (0.73) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL13745464 0.81 CDK8 (1.00) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL8281304 0.80 CDK8 (0.60) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL12763457 0.80 CDK8 (0.79) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL8318457 0.80 CDK8 (0.63) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL13356904 0.80 CDK8 (0.63) CDK8CDK2CCNT1CCNA2CDK9
SCHEMBL13745938 0.79 CDK8 (0.70) CDK8CDK2CCNT1CCNA2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 US disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 EP 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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 CDK8 460/4885CDK2 219/4885CCNT1 1345/4885
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation NFKBIA, CHUK, MAP3K1 CDK8 460/4885CDK2 219/4885CCNT1 1345/4885

“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.