SCHEMBL885609

SCHEMBL885609

CC(C)CCCC(C)NC(=O)c1c(-c2cccnc2)noc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 5/20 0.44
GABRA5 P31644 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
DYRK1A Q13627 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
RET P07949 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TDO2 P48775 1/20 0.36
TACR3 P29371 1/20 0.35

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
SCHEMBL6315380 0.91 PTAFR (0.43) PTAFRGABRA5ALDH1A1KDM4EL3MBTL1
SCHEMBL6317813 0.90 PTAFR (0.43) PTAFRGABRA5ALDH1A1KDM4EL3MBTL1
SCHEMBL6315501 0.90 NPC1 (0.44) PTAFRGABRA5ALDH1A1KDM4EL3MBTL1
SCHEMBL6315360 0.89 GABRA5 (0.43) PTAFRGABRA5ALDH1A1KDM4EL3MBTL1
SCHEMBL6317599 0.86 LMNA (0.59) PTAFRALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6315451 0.84 ALDH1A1 (0.47) GABRA5ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6323514 0.83 ALDH1A1 (0.45) GABRA5ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6315546 0.82 ALDH1A1 (0.49) GABRA5ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL6316413 0.82 ALDH1A1 (0.44) GABRA5ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL885658 0.81 GABRA1 (0.47) GABRA5LMNAGAARAB9A

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-1937637-B1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2013-04-03 EP claimed
EP-1937637-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-07-02 EP claimed
WO-2007039615-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-04-12 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
EP-1937637-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-07-02 EP disclosed
WO-2007039615-A1 NEW N-ALKYL-HETEROCYCLYL CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-04-12 WO disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 PTAFR 1697/4885GABRA5 742/4885ALDH1A1 4444/4885

“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.