SCHEMBL6317328

SCHEMBL6317328

CC(C)C(C)NC(=O)c1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)noc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDR P35968 2/20 0.42
SLC9A1 P19634 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
PDGFRB P09619 1/20 0.39
FLT3 P36888 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6319097 0.88 CYP1A2 (0.50) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6317711 0.88 CYP1A2 (0.50) CYP1A2CYP2C19BRD4KMT2ASLC9A1
SCHEMBL6314969 0.88 CYP1A2 (0.49) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6317069 0.87 CYP1A2 (0.49) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6316231 0.87 CYP1A2 (0.53) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6317320 0.86 CYP1A2 (0.49) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL884334 0.86 CYP1A2 (0.48) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6323815 0.85 S1PR4 (0.41) HPGDSMN1; SMN2SLC9A1ALDH1A1NPC1
SCHEMBL6317054 0.85 CYP1A2 (0.47) CYP1A2CYP2C19BRD4KDM4EKMT2A
SCHEMBL6318574 0.85 CYP1A2 (0.47) CYP1A2CYP2C19BRD4KDM4EKMT2A

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 4 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
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 CYP1A2 4402/4885CYP2C19 3888/4885BRD4 622/4885

“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.