SCHEMBL13745394

SCHEMBL13745394

O=C(NC1CCCCC1)c1ccccc1-c1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.56
RIPK1 Q13546 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.48
CAMKK2 Q96RR4 9/20 0.48
ALOX5AP P20292 1/20 0.47
FEN1 P39748 1/20 0.47
POLB P06746 1/20 0.47
SGK1 O00141 1/20 0.47
AURKA O14965 1/20 0.47
CAMKK1 Q8N5S9 1/20 0.47
SGK3 Q96BR1 1/20 0.47
SGK2 Q9HBY8 1/20 0.47
IGF1R P08069 1/20 0.44
CCNT1 O60563 1/20 0.44

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
SCHEMBL8317282 0.95 CDK8 (0.59) CDK8RIPK1GAACAMKK2ALOX5AP
SCHEMBL8281973 0.85 CDK8 (0.51) CDK8RIPK1ALDH1A1CAMKK2SGK1
SCHEMBL13745546 0.84 CDK8 (0.56) CDK8CAMKK2SGK1AURKACAMKK1
SCHEMBL8316526 0.82 CDK8 (0.71) CDK8CAMKK2SGK1AURKACAMKK1
SCHEMBL8314436 0.82 CDK8 (0.59) CDK8CAMKK2ALOX5APFEN1SGK1
SCHEMBL13746026 0.82 CDK8 (0.64) CDK8RIPK1CAMKK2SGK1SGK2
SCHEMBL8318330 0.81 CDK8 (0.58) CDK8CAMKK2SGK1IGF1RCCNT1
SCHEMBL13746094 0.81 CDK8 (0.51) CDK8KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13746029 0.80 CDK8 (0.59) CDK8CAMKK2ALOX5APFEN1SGK1
SCHEMBL8313356 0.80 CDK8 (0.56) CDK8CAMKK2SGK1IGF1RCCNT1

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 360/4885RIPK1 152/4885MEN1 4830/4885

“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.