SCHEMBL6322797

SCHEMBL6322797

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CHRM4 P08173 1/20 0.43
MAOB P27338 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.38
ROCK2 O75116 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 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
SCHEMBL6316383 0.89 CHRM4 (0.48) ALDH1A1LMNAHPGDCHRM4MAOB
SCHEMBL6318405 0.88 CA1 (0.51) ALDH1A1LMNAHPGDCHRM4MAOB
SCHEMBL6318468 0.88 ADORA1 (0.45) MAOBADORA2AADORA2BADORA3ADORA1
SCHEMBL6317057 0.88 ALDH1A1 (0.46) ALDH1A1HPGDCHRM4MAOBADORA2A
SCHEMBL6324462 0.88 GAA (0.46) ALDH1A1LMNAHPGDMAPK1RAB9A
SCHEMBL6318267 0.88 ADORA1 (0.46) LMNAHPGDADORA1MAPK1RAB9A
SCHEMBL6318253 0.87 LMNA (0.46) ALDH1A1LMNAHPGDCHRM4MAOB
SCHEMBL6323982 0.87 PDPK1 (0.42) CHRM4MAOBKMT2AATMCA1
SCHEMBL6315439 0.82 MAOB (0.42) MAOBCA1CA2CA4CA7
SCHEMBL6317499 0.82 HPGD (0.41) ALDH1A1LMNAHPGDCHRM4MAOB

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 ALDH1A1 4444/4885LMNA 3334/4885HPGD 2923/4885

“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.