SCHEMBL1487549

SCHEMBL1487549

Brc1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.67
DYRK1A Q13627 3/20 0.65
CDK2 P24941 2/20 0.65
JAK2 O60674 2/20 0.65
IGF1R P08069 2/20 0.65
STK3 Q13188 2/20 0.65
PLK4 O00444 1/20 0.65
AURKA O14965 1/20 0.65
ROCK2 O75116 1/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
PRKCG P05129 1/20 0.65
INSR P06213 1/20 0.65
CDK1 P06493 1/20 0.65
FES P07332 1/20 0.65
ROS1 P08922 1/20 0.65
FGFR1 P11362 1/20 0.65
PHKG2 P15735 1/20 0.65
FER P16591 1/20 0.65
FLT1 P17948 1/20 0.65

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
SCHEMBL8320115 0.85 CDK8 (0.84) CDK8DYRK1ACDK2IGF1RCCNT1
SCHEMBL3348746 0.83 CDK8 (0.67) CDK8DYRK1ACDK2JAK2IGF1R
SCHEMBL8323614 0.81 CDK8 (0.62) CDK8DYRK1ACDK2JAK2IGF1R
SCHEMBL1487975 0.81 CDK8 (0.73) CDK8DYRK1ACDK2IGF1RCCNT1
SCHEMBL13745464 0.81 CDK8 (1.00) CDK8CDK2IGF1RCCNT1CCNA2
SCHEMBL12763457 0.80 CDK8 (0.79) CDK8DYRK1ACDK2CCNT1CCNA2
SCHEMBL8318457 0.80 CDK8 (0.63) CDK8DYRK1ACDK2JAK2IGF1R
SCHEMBL13356904 0.80 CDK8 (0.63) CDK8DYRK1ACDK2JAK2IGF1R
SCHEMBL1516750 0.79 JAK2 (1.00) CDK8DYRK1ACDK2JAK2IGF1R
SCHEMBL8313393 0.79 CDK8 (0.77) CDK8DYRK1ACDK2IGF1RCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
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-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
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US disclosed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO 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 (2 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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 CDK8 362/4885DYRK1A 1609/4885CDK2 142/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 CDK8 360/4885DYRK1A 1619/4885CDK2 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.