SCHEMBL6316191

SCHEMBL6316191

Nc1onc(-c2ccccn2)c1C(=O)Nc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.53
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TSHR P16473 2/20 0.42
CHRNB2 P17787 1/20 0.42

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
SCHEMBL6316835 0.88 KDR (0.56) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL6316714 0.83 RAB9A (0.45) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6316346 0.83 SMN1; SMN2 (0.49) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6315347 0.82 HDAC2 (0.45) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6316151 0.81 CA1 (0.56) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6317902 0.81 CYP2C9 (0.54) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6315036 0.80 ALDH1A1 (0.53) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6315278 0.78 RAB9A (0.44) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6316431 0.77 CA1 (0.52) CYP2C9RAB9ANPC1CYP1A2CYP3A4
SCHEMBL6319053 0.76 HPGDS (0.54) NPC1CYP1A2CYP2D6CYP2C19KDM4E

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 4466/4885RAB9A 1754/4885NPC1 3741/4885

“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.