SCHEMBL6317434

SCHEMBL6317434

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 4/20 0.38
GFER P55789 2/20 0.38
WNT3A P56704 1/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 2/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 2/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL6322374 0.87 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6322380 0.87 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6321867 0.82 WNT3A (0.41) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6317065 0.82 POLB (0.41) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6315448 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6322831 0.82 NPC1 (0.47) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6316971 0.82 TP53 (0.42) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6316563 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6315392 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPSR1MEN1
SCHEMBL6315001 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2HTT

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 ALDH1A1 4444/4885MAPT 281/4885KDM4E 1382/4885

“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.