SCHEMBL9937273

SCHEMBL9937273

COC(=O)Cc1c[nH]c2nccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.47
CDK2 P24941 2/20 0.47
CDK9 P50750 2/20 0.47
CDK5 Q00535 2/20 0.47
MAP2K1 Q02750 2/20 0.47
ROCK1 Q13464 2/20 0.47
AURKB Q96GD4 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DAPK3 O43293 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 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
SCHEMBL20422633 0.84 JAK2 (0.42) LRRK2CDK2CDK9CDK5MAP2K1
SCHEMBL2693766 0.82 LRRK2 (0.53) LRRK2CDK2CDK9CDK5MAP2K1
SCHEMBL27939073 0.81 LRRK2 (0.45) LRRK2CDK2CDK9CDK5MAP2K1
Hydrochloric Acid SCHEMBL30705239 0.80 LRRK2 (0.51) LRRK2CDK2CDK9CDK5MAP2K1
Hydrochloric Acid SCHEMBL27167150 0.80 LRRK2 (0.51) LRRK2CDK2CDK9CDK5MAP2K1
SCHEMBL2042177 0.79 AKT1 (0.44) LRRK2CDK2CDK9CDK5MAP2K1
Hydrochloric Acid SCHEMBL2157256 0.78 AKT1 (0.44) LRRK2CDK2CDK9CDK5MAP2K1
SCHEMBL152993 0.77 NR4A2 (0.59) MTNR1APKMNR4A2ALDH1A1SMN1; SMN2
SCHEMBL17818802 0.77 NR4A2 (0.58) LRRK2CDK2CDK9CDK5MAP2K1
SCHEMBL2696119 0.76 LRRK2 (0.50) LRRK2CDK2CDK9CDK5MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 LRRK2 255/4885CDK2 137/4885CDK9 956/4885

“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.