SCHEMBL6316971

SCHEMBL6316971

CCC(CC)C(=O)Nc1onc(-c2c(C)nn(-c3ccccc3)c2C)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
ESR2 Q92731 1/20 0.38
CYP2C9 P11712 1/20 0.38
FPR1 P21462 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL6318309 0.93 PDE4D (0.40) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL27591716 0.87 KDM4E (0.39) TP53PDE4DALDH1A1SMN1; SMN2LMNA
SCHEMBL6315448 0.85 ALDH1A1 (0.43) TP53PDE4DALDH1A1SMN1; SMN2LMNA
SCHEMBL6316563 0.85 ALDH1A1 (0.43) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6317893 0.84 ALDH1A1 (0.42) TP53PDE4DALDH1A1SMN1; SMN2LMNA
SCHEMBL27591634 0.83 KDM4E (0.45) TP53PDE4DALDH1A1SMN1; SMN2LMNA
SCHEMBL6322831 0.83 NPC1 (0.47) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6315392 0.83 ALDH1A1 (0.43) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6317167 0.82 NR3C1 (0.42) PDE4DALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6316739 0.82 NPC1 (0.46) ALDH1A1SMN1; SMN2LMNAHTTNPC1

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 6 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
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 TP53 609/4885PDE4D 1219/4885ALDH1A1 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.