SCHEMBL6317499

SCHEMBL6317499

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
POLB P06746 2/20 0.40
MAOB P27338 1/20 0.40
CHRM4 P08173 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL6323533 0.90 ALDH1A1 (0.47) HPGDALDH1A1MAPTCA1CA2
SCHEMBL6324247 0.89 HPGD (0.47) HPGDPOLBMAOBCHRM4ALDH1A1
SCHEMBL6318170 0.88 ALDH1A1 (0.45) HPGDMAOBCHRM4ALDH1A1MAPT
SCHEMBL6316785 0.88 CA1 (0.52) HPGDPOLBMAOBCHRM4ALDH1A1
SCHEMBL6323488 0.88 ALDH1A1 (0.45) HPGDPOLBMAOBALDH1A1ADORA3
SCHEMBL6323448 0.87 NTRK1 (0.43) CA1CA2CA4CA7
SCHEMBL6317726 0.87 HPGD (0.43) HPGDPOLBMAOBCHRM4ALDH1A1
SCHEMBL6317715 0.86 ADORA2A (0.42) MAPTADORA2AADORA1CA1CA2
SCHEMBL6317671 0.85 NPC1 (0.52) HPGDPOLBMAOBALDH1A1MAPT
SCHEMBL6324462 0.85 GAA (0.46) HPGDALDH1A1MAPTTSHRCA1

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 HPGD 2923/4885POLB 872/4885MAOB 1851/4885

“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.