SCHEMBL885646

SCHEMBL885646

Cc1ccc(-c2noc(N)c2C(=O)NC(C)CCCC(C)C)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
ACACB O00763 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
ADORA2A P29274 5/20 0.34
ADORA1 P30542 4/20 0.34
MAPT P10636 1/20 0.34
MLYCD O95822 1/20 0.34
TSHR P16473 1/20 0.33
FBP1 P09467 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6316184 0.91 TAS1R3 (0.40) CA1CA2CA4CA7ACACB
SCHEMBL6315876 0.90 TAS1R3 (0.40) CA1CA2CA4CA7ACACB
SCHEMBL6316527 0.89 ACACB (0.41) CA1CA2CA4CA7ACACB
SCHEMBL885451 0.88 CA1 (0.52) CA1CA2CA4CA7ACACB
SCHEMBL6324742 0.88 ACACB (0.42) CA1CA2CA4CA7ACACB
SCHEMBL6316838 0.87 TSHR (0.43) CA1CA2CA4CA7ACACB
SCHEMBL6317261 0.85 KMT2A (0.48) MAPTTSHRLMNASMN1; SMN2
SCHEMBL6316073 0.84 HPGD (0.45) CA1CA2CA4CA7ACACB
SCHEMBL6315358 0.84 MEN1 (0.44) CA1CA2CA4CA7ADORA2A
SCHEMBL885757 0.83 TDP1 (0.42) ACACBADORA2AADORA1MAPTMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives BAYER CROPSCIENCE S.A. (FR) 2010-08-05 US 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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
US-8148538-B2 N-alkyl-heterocyclyl carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives BAYER CROPSCIENCE S.A. (FR) 2010-08-05 US disclosed
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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 CA1 2406/4885CA2 2764/4885CA4 4029/4885
US-20100197633-A1 N-Alkyl-Heterocyclyl Carboxamide Derivatives CYP1A2, CYP3A7, GANC CA1 1573/4885CA2 606/4885CA4 397/4885

“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.