SCHEMBL1487563

SCHEMBL1487563

Brc1cnc2[nH]cc(-c3cnco3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.55
JAK2 O60674 2/20 0.55
JAK3 P52333 2/20 0.55
PLK4 O00444 1/20 0.55
AURKA O14965 1/20 0.55
ROCK2 O75116 1/20 0.55
PRKD3 O94806 1/20 0.55
MAP4K4 O95819 1/20 0.55
PRKCG P05129 1/20 0.55
INSR P06213 1/20 0.55
CDK1 P06493 1/20 0.55
FES P07332 1/20 0.55
IGF1R P08069 1/20 0.55
ROS1 P08922 1/20 0.55
FGFR1 P11362 1/20 0.55
PHKG2 P15735 1/20 0.55
FER P16591 1/20 0.55
FLT1 P17948 1/20 0.55
CDK2 P24941 1/20 0.55
MARK3 P27448 1/20 0.55

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
SCHEMBL13753993 0.82 IMPDH2 (0.41) DYRK1AJAK2JAK3PLK4AURKA
SCHEMBL1614099 0.77 HTR1A (0.52) CDK1CDK5PDPK1IMPDH2GAA
SCHEMBL28614283 0.73 JAK2 (0.75) DYRK1AJAK2JAK3PLK4AURKA
SCHEMBL13745528 0.72 CDK8 (0.45) CDK2IMPDH2AXLCDK8TNIK
SCHEMBL1516750 0.71 JAK2 (1.00) DYRK1AJAK2JAK3PLK4AURKA
SCHEMBL20447380 0.70 GAA (0.44) MAP4K4IMPDH2GAAMEN1KMT2A
SCHEMBL1487553 0.70 CAMKK2 (0.62) IGF1RIMPDH2AXLCDK8TNIK
SCHEMBL13745308 0.70 SGK1 (0.50) DYRK1AIMPDH2AXLCLK1DYRK2
SCHEMBL8320389 0.70 DYRK1A (0.66) DYRK1AJAK2JAK3PLK4AURKA
SCHEMBL1487549 0.70 CDK8 (0.67) DYRK1AJAK2JAK3PLK4AURKA

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 DYRK1A 1609/4885JAK2 777/4885JAK3 1205/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 DYRK1A 1619/4885JAK2 796/4885JAK3 1271/4885

“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.