SCHEMBL13745330

SCHEMBL13745330

C#CCNC(=O)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.57
CCNT1 O60563 2/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CDK9 P50750 2/20 0.47
IGF1R P08069 1/20 0.45
CAMKK2 Q96RR4 6/20 0.43
SGK1 O00141 5/20 0.43
AXL P30530 6/20 0.41
NEK1 Q96PY6 1/20 0.41
PDPK1 O15530 1/20 0.41
TNIK Q9UKE5 1/20 0.41

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
SCHEMBL8318330 0.88 CDK8 (0.58) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8314436 0.87 CDK8 (0.59) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8313356 0.86 CDK8 (0.56) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL13745336 0.86 CDK8 (0.61) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL13745546 0.84 CDK8 (0.56) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8316526 0.83 CDK8 (0.71) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL13746026 0.83 CDK8 (0.64) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8320558 0.82 CDK8 (0.64) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL8317282 0.81 CDK8 (0.59) CDK8CCNT1CCNA2CDK2CDK9
SCHEMBL13746094 0.80 CDK8 (0.51) CDK8

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 360/4885CCNT1 1186/4885CCNA2 1325/4885

“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.