SCHEMBL6323488

SCHEMBL6323488

Cc1ccccc1CNC(=O)c1c(-c2ccc(Br)s2)noc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.40
MAOB P27338 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
CA2 P00918 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37

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
SCHEMBL6315483 0.91 HPGD (0.47) ALDH1A1HPGDKDM4EHTTP2RX7
SCHEMBL6323533 0.90 ALDH1A1 (0.47) ALDH1A1HPGDP2RX7CA2CA1
SCHEMBL6317667 0.88 CA2 (0.52) ALDH1A1HPGDKDM4EHTTP2RX7
SCHEMBL6317499 0.88 HPGD (0.41) ALDH1A1HPGDMAOBADORA2AADORA1
SCHEMBL6316409 0.88 HPGD (0.45) ALDH1A1HPGDKDM4EHTTP2RX7
SCHEMBL6318170 0.88 ALDH1A1 (0.45) ALDH1A1HPGDHTTMAOBADORA2A
SCHEMBL6317671 0.87 NPC1 (0.52) ALDH1A1HPGDKDM4EHTTMAOB
SCHEMBL6317715 0.86 ADORA2A (0.42) ADORA2AADORA1CA2CA1CA4
SCHEMBL6323448 0.85 NTRK1 (0.43) CA2CA1CA4CA7CACNA1G
SCHEMBL6324462 0.85 GAA (0.46) ALDH1A1HPGDCA2CA1CA4

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 4444/4885HPGD 2923/4885KDM4E 1382/4885

“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.