SCHEMBL6316433

SCHEMBL6316433

CC(C)(C)C1CCC(NC(=O)c2c(-c3ccc(Br)s3)noc2N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.35
TP53 P04637 2/20 0.34
MDM2 Q00987 2/20 0.34
KMT2A Q03164 1/20 0.34
GHSR Q92847 1/20 0.34
EPHX1 P07099 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
GABRA5 P31644 1/20 0.33
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6319880 0.90 RAB9A (0.40) CA1CA2CA4CA7SMN1; SMN2
SCHEMBL6321143 0.87 HPGD (0.51) CA1CA2CA4CA7ALDH1A1
SCHEMBL6324536 0.87 ALDH1A1 (0.48) CA1CA2CA4CA7ALDH1A1
SCHEMBL6324542 0.87 SMYD3 (0.45) CA1CA2CA4CA7HPGD
SCHEMBL6324489 0.86 ALDH1A1 (0.50) CA1CA2CA4CA7ALDH1A1
SCHEMBL6318290 0.86 ALDH1A1 (0.50) CA1CA2CA4CA7ALDH1A1
SCHEMBL6322332 0.81 CA1 (0.45) CA1CA2CA4CA7ALDH1A1
SCHEMBL6316109 0.79 LMNA (0.44) ALDH1A1HPGDSMN1; SMN2LMNAKMT2A
SCHEMBL6321774 0.79 TAS1R3 (0.44) CA1CA2CA4CA7ALDH1A1
SCHEMBL6315558 0.78 GHSR (0.38) ALDH1A1HPGDSMN1; SMN2LMNARAB9A

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 CA1 2406/4885CA2 2764/4885CA4 4029/4885

“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.