SCHEMBL13249147

SCHEMBL13249147

C/C=C\NC(=O)c1cc(Nc2c(Cl)cc(S(=O)(=O)NCC(C)C)cc2Cl)nc2ccc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3502735 0.70 JAK2 (0.54)
SCHEMBL2867090 0.69 JAK2 (0.34) ATMPDK1PDK2PDK3PDK4
SCHEMBL3499488 0.66 JAK2 (0.53)
SCHEMBL2856300 0.65 TDO2 (0.37)
SCHEMBL10989432 0.59 ATM (0.67) ATMPDK1PDK2PDK3PDK4
SCHEMBL6755663 0.59 CA1 (0.77) GAAKMT2AMEN1TSHRALDH1A1
SCHEMBL10436044 0.57 DHODH (0.51) ATMGAAKMT2AMEN1TSHR
SCHEMBL9539927 0.57 MEN1 (0.40) GAAKMT2AMEN1KDM4E
SCHEMBL9539933 0.57 MEN1 (0.40) GAAKMT2AMEN1KDM4E
SCHEMBL5815305 0.56 KDM4E (0.71) ATMGAAKMT2AMEN1TSHR

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-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 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-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 ATM 316/4885PDK1 4/4885PDK2 25/4885

“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.