SCHEMBL1487526

SCHEMBL1487526

c1n[nH]cc1-c1c[nH]c2ncc(N3CCOCC3)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.59
MAP4K1 Q92918 4/20 0.55
IL2 P60568 3/20 0.55
MAPK1 P28482 7/20 0.52
CLK1 P49759 2/20 0.49
DYRK1A Q13627 2/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
BMPR1B O00238 1/20 0.48
KDR P35968 1/20 0.48
BMPR1A P36894 1/20 0.48
ACVR1B P36896 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
TGFBR2 P37173 1/20 0.48
ACVR1 Q04771 1/20 0.48
BMPR2 Q13873 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL8313448 0.89 MAP4K1 (0.71) LRRK2MAP4K1IL2CLK1DYRK1A
SCHEMBL31235685 0.83 MAPK1 (0.59) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL1487564 0.79 MAP4K1 (0.47) LRRK2MAP4K1IL2MAPK1CLK1
SCHEMBL30524645 0.79 LRRK2 (0.62) LRRK2MAP4K1IL2MAPK1CLK1
SCHEMBL8321878 0.78 ROCK1 (0.58) MAP4K1IL2MAPK1CLK1DYRK1A
SCHEMBL13753992 0.78 KDR (0.53) LRRK2CDK2GSK3BBMPR1BKDR
SCHEMBL13746422 0.78 ACVR1 (0.53) LRRK2CDK2GSK3BBMPR1BKDR
SCHEMBL30524641 0.78 PIK3C3 (0.53) LRRK2MAP4K1IL2MAPK1CLK1
SCHEMBL18892042 0.77 MAP4K1 (0.47) LRRK2MAP4K1IL2MAPK1CLK1
SCHEMBL3411072 0.76 LRRK2 (0.62) LRRK2MAP4K1IL2MAPK1CLK1

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 10 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
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
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 LRRK2 190/4885MAP4K1 41/4885IL2 3224/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 LRRK2 217/4885MAP4K1 45/4885IL2 2975/4885

“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.