SCHEMBL6316346

SCHEMBL6316346

Nc1onc(-c2ccncc2)c1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA7 P43166 3/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6317902 0.88 CYP2C9 (0.54) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL6315278 0.86 RAB9A (0.44) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL6314735 0.84 HTT (0.53) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6316191 0.83 CYP2C9 (0.53) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6315036 0.83 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6315347 0.81 HDAC2 (0.45) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6316714 0.80 RAB9A (0.45) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL6316604 0.75 ALDH1A1 (0.57) SMN1; SMN2CA1CA2CA4CA7
SCHEMBL6316493 0.74 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL6316949 0.74 HTT (0.57) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1

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 SMN1; SMN2 2766/4885CA1 2406/4885CA2 2764/4885

“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.