SCHEMBL2280859

SCHEMBL2280859

Cn1cc(-c2nn(S(=O)(=O)c3ccccc3)c3nccc(C4C=CCCC4)c23)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.35
CCNA2 P20248 2/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TTK P33981 1/20 0.33
MAPK8 P45983 1/20 0.33
ACVR2A P27037 2/20 0.33
TGFBR2 P37173 2/20 0.33
PDPK1 O15530 1/20 0.32
LRRK2 Q5S007 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
JAK3 P52333 3/20 0.31
CCNT1 O60563 2/20 0.30
CCNB2 O95067 2/20 0.30
CCNE2 O96020 2/20 0.30
CDK1 P06493 2/20 0.30
CCNB1 P14635 2/20 0.30

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
SCHEMBL2750991 0.83 PDPK1 (0.39) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL2750996 0.73 PTGDR2 (0.38) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL2752577 0.71 PDPK1 (0.38) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL2277440 0.70 PDPK1 (0.37) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL2277448 0.70 PDPK1 (0.37) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL2278431 0.69 WNT1 (0.38) CDK2CCNA2WNT1GSK3BDYRK1A
SCHEMBL1800464 0.68 HTR6 (0.33)
SCHEMBL2753851 0.68 ROCK2 (0.55) LRRK2JAK3
SCHEMBL1801778 0.68 BRD4 (0.44) CCNB2CDK1CCNB1CCNB3
SCHEMBL2278435 0.68 AXL (0.46) CDK2CCNA2WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 CDK2 46/4885CCNA2 669/4885WNT1 2535/4885

“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.