SCHEMBL6317902

SCHEMBL6317902

Nc1onc(-c2cccnc2)c1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL6316346 0.88 SMN1; SMN2 (0.49) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6316949 0.86 HTT (0.57) SMN1; SMN2ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL6324826 0.82 CYP2C9 (0.56) CYP2C9SMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL6317791 0.82 ALDH1A1 (0.64) CYP2C9SMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL6315278 0.81 RAB9A (0.44) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6316191 0.81 CYP2C9 (0.53) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6315036 0.78 ALDH1A1 (0.53) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6315347 0.78 HDAC2 (0.45) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6316714 0.77 RAB9A (0.45) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL6319035 0.77 ALDH1A1 (0.57) CYP2C9SMN1; SMN2ALDH1A1KDM4ECYP1A2

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 CYP2C9 4466/4885SMN1; SMN2 2766/4885ALDH1A1 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.