SCHEMBL6322173

SCHEMBL6322173

CCc1ccc(-c2noc(N)c2C(=O)NCc2cccc(C)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP13 P45452 1/20 0.44
MAOB P27338 1/20 0.42
GAA P10253 2/20 0.42
ADORA2A P29274 4/20 0.41
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.40
ESR1 P03372 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6318253 0.89 LMNA (0.46) ALDH1A1HPGDMAOBADORA2AADORA1
SCHEMBL6323513 0.89 ADORA1 (0.47) HPGDMAOBGAAADORA2AADORA1
SCHEMBL6317805 0.89 GAA (0.48) ALDH1A1KDM4EHPGDGAAADORA1
SCHEMBL6317057 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MMP13
SCHEMBL6314978 0.88 KMT2A (0.47) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL6321860 0.87 CCR1 (0.45) HPGDGAAADORA1TDP1CYP1A2
SCHEMBL6315818 0.84 PDPK1 (0.45) MAOBTHRBCYP1A2CYP2D6CYP2C19
SCHEMBL6318516 0.83 KMT2A (0.46) ALDH1A1HPGDHSD17B10MAOBMAPT
SCHEMBL6316409 0.82 HPGD (0.45) ALDH1A1KDM4EHPGDMAOBADORA2A
SCHEMBL6315208 0.82 GAA (0.55) ALDH1A1KDM4EHPGDHSD17B10MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 ALDH1A1 4444/4885KDM4E 1382/4885HPGD 2923/4885

“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.