SCHEMBL13745875

SCHEMBL13745875

CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3SOOc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.39
▸ MAPK8 P45983 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ PTPN11 Q06124 10/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PTPRC P08575 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PTPN6 P29350 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
SCHEMBL13609221 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10CYP1A2CYP3A4
SCHEMBL13609206 0.80 CNR1 (0.35) MAPK8MAPK9MAPK10PTPN11CYP1A2
SCHEMBL13609267 0.79 AAK1 (0.38) MAPK8MAPK9MAPK10PDGFRBPDGFRA
SCHEMBL1487552 0.75 PTPN11 (0.47) CDK8PTPN11IMPDH2
SCHEMBL13745617 0.75 CDK8 (0.38) CDK8MAPK8MAPK9MAPK10PTPN11
SCHEMBL12410829 0.68 HPGD (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL1487584 0.67 CDK8 (0.72) CDK8MAPK8MAPK9MAPK10
SCHEMBL13746285 0.64 KIT (0.34) MAPK8MAPK9MAPK10PTPN11PDGFRB
SCHEMBL13745614 0.63 PTPN11 (0.47) PTPN11CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13745761 0.62 MAPK8 (0.37) MAPK8MAPK9MAPK10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 — — US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 — — 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 CDK8 360/4885MAPK8 50/4885MAPK9 43/4885

“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.

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