SCHEMBL13745617

SCHEMBL13745617

CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL13746752 0.83 KIT (0.35) MAPK8MAPK9MAPK10KMT2AFYN
SCHEMBL13745553 0.81 CYP2A6 (0.35) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL8320074 0.81 MAPK8 (0.37) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL13745786 0.81 ABL1 (0.35) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL13609217 0.78 MAPK8 (0.35) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL13854152 0.77 MC4R (0.38) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL13745576 0.77 PTPN11 (0.35) ALDH1A1MAPK8MAPK9MAPK10PTPN11
SCHEMBL1487552 0.75 PTPN11 (0.47) CDK8IMPDH2PTPN11
SCHEMBL13745875 0.75 CDK8 (0.39) CDK8ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL14030995 0.73 MAPK8 (0.31) MAPK8MAPK9MAPK10PDGFRBPDGFRA

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 360/4885ALDH1A1 3681/4885LMNA 2945/4885

“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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