SCHEMBL8320044

SCHEMBL8320044

c1csc(-c2cnc3[nH]cc(-c4nccs4)c3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.64
AXL P30530 1/20 0.47
TNIK Q9UKE5 1/20 0.47
CHEK1 O14757 1/20 0.45
NTRK1 P04629 7/20 0.44
PIK3CA P42336 1/20 0.44
CCNT1 O60563 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
KIT P10721 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAP3K11 Q16584 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
SCHEMBL1798904 0.85 AXL (0.68) CDK8AXLTNIKNTRK1KIT
SCHEMBL1516651 0.81 NTRK1 (0.59) CDK8AXLTNIKNTRK1PIK3CA
SCHEMBL12764139 0.81 CDK8 (0.85) CDK8AXLTNIKNTRK1PIK3CA
SCHEMBL8320561 0.81 CDK8 (0.49) CDK8AXLTNIKNTRK1PIK3CA
SCHEMBL8316949 0.80 CDK8 (0.67) CDK8AXLTNIKNTRK1PIK3CA
SCHEMBL8320842 0.80 CDK8 (0.64) CDK8AXLTNIKCHEK1NTRK1
SCHEMBL8323586 0.80 CDK8 (0.60) CDK8AXLTNIKCHEK1NTRK1
SCHEMBL12763222 0.79 CDK8 (0.47) CDK8AXLTNIKNTRK1CCNT1
SCHEMBL12763221 0.78 CCNT1 (0.48) CDK8AXLTNIKNTRK1PIK3CA
SCHEMBL1487615 0.78 CDK8 (0.68) CDK8AXLTNIKCHEK1NTRK1

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 CDK8 360/4885AXL 3999/4885TNIK 215/4885

“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.