SCHEMBL6316442

SCHEMBL6316442

CC(C)NC(=O)Nc1onc(-c2ccccn2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.45
TACR3 P29371 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
MITF O75030 1/20 0.36
CCR6 P51684 1/20 0.36
RET P07949 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5C P41229 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM2A Q9Y2K7 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
SCHEMBL6318656 0.84 NPC1 (0.50) SMN1; SMN2HTTADORA3PKMKMT2A
SCHEMBL6325190 0.83 HTT (0.46) GABRA5SMN1; SMN2L3MBTL1HTTPKM
SCHEMBL6324765 0.81 TP53 (0.50) SMN1; SMN2ALDH1A1HTTKDM4EADORA3
SCHEMBL6324647 0.81 ADORA1 (0.41) GABRA5ALDH1A1KDM4EHPGD
SCHEMBL6316237 0.80 HPGDS (0.47) HTTKDM4E
SCHEMBL6317670 0.78 TSHR (0.54) ALDH1A1L3MBTL1HTTKDM4EPKM
SCHEMBL6316907 0.78 EDNRA (0.43) GABRA5KDM4EKMT2AKDM6BKDM4A
SCHEMBL6316904 0.78 ALDH1A1 (0.45) GABRA5SMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL6316894 0.77 MAPK14 (0.53) ALDH1A1KDM4EHPGDKMT2AKDM6B
SCHEMBL6324589 0.76 EDNRA (0.48)

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 3 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

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 GABRA5 742/4885TACR3 4591/4885SMN1; SMN2 2766/4885

“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.