SCHEMBL8313442

SCHEMBL8313442

COc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.72
MAPK8 P45983 1/20 0.72
MAPK9 P45984 1/20 0.72
MAPK10 P53779 1/20 0.72
DYRK1A Q13627 2/20 0.68
CCNT1 O60563 1/20 0.61
CCNA2 P20248 1/20 0.61
CDK2 P24941 1/20 0.61
CDK9 P50750 1/20 0.61
MAP3K11 Q16584 1/20 0.59
PIK3CA P42336 1/20 0.57

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
SCHEMBL15833785 0.91 KIT (0.81) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL13745948 0.86 AXL (0.76) KITDYRK1A
SCHEMBL3351151 0.85 MAPK8 (0.57) KITMAPK8MAPK9MAPK10DYRK1A
SCHEMBL8313439 0.85 KIT (0.83) KITDYRK1AMAP3K11PIK3CA
SCHEMBL8941722 0.85 KIT (0.74) KITDYRK1ACCNT1CCNA2CDK2
SCHEMBL14049065 0.84 DYRK1A (0.79) MAPK8MAPK9MAPK10DYRK1A
SCHEMBL8313435 0.84 MAPK8 (0.71) KITMAPK8MAPK9MAPK10DYRK1A
SCHEMBL12829496 0.84 MAPK8 (0.64) KITMAPK8MAPK9MAPK10DYRK1A
SCHEMBL4406366 0.84 MAPK8 (1.00) KITMAPK8MAPK9MAPK10DYRK1A
SCHEMBL17211634 0.82 KIT (0.69) KITDYRK1ACCNT1CCNA2CDK2

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 6 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-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
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 (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 KIT 3148/4885MAPK8 50/4885MAPK9 43/4885

“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.