SCHEMBL13745368

SCHEMBL13745368

Clc1cccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.76
KIT P10721 2/20 0.58
CDK2 P24941 2/20 0.55
CCNT1 O60563 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK9 P50750 1/20 0.55
AXL P30530 3/20 0.54
TNIK Q9UKE5 1/20 0.54
IGF1R P08069 3/20 0.53
NTRK1 P04629 4/20 0.53
JAK2 O60674 1/20 0.52
MAP3K9 P80192 1/20 0.51
MAP3K11 Q16584 1/20 0.51
PIK3CA P42336 2/20 0.50
DYRK1A Q13627 2/20 0.49
CDC7 O00311 1/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
MAPK13 O15264 1/20 0.49

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
SCHEMBL13745366 0.87 CDK8 (0.77) CDK8KITCDK2CCNT1CCNA2
SCHEMBL13745361 0.86 CDK8 (0.77) CDK8KITCDK2CCNT1CCNA2
SCHEMBL13745464 0.86 CDK8 (1.00) CDK8KITCDK2CCNT1CCNA2
SCHEMBL8320115 0.86 CDK8 (0.84) CDK8KITCDK2CCNT1CCNA2
SCHEMBL8313308 0.86 CDK8 (0.76) CDK8KITCDK2CCNT1CCNA2
SCHEMBL1516669 0.86 CDK8 (0.76) CDK8KITCDK2CCNT1CCNA2
SCHEMBL13745496 0.84 CDK8 (0.70) CDK8KITCDK2CCNT1CCNA2
SCHEMBL8322704 0.84 CDK8 (0.66) CDK8KITCDK2CCNT1CCNA2
SCHEMBL8319983 0.84 CDK8 (0.65) CDK8KITCDK2CCNT1CCNA2
SCHEMBL30368403 0.83 AXL (0.71) CDK8KITCDK2CCNT1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
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
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 360/4885KIT 3148/4885CDK2 153/4885

“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.