SCHEMBL6318436

SCHEMBL6318436

CCCCN(CCCC)CCCNC(=O)c1c(-c2ccc(Cl)s2)noc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
MAPT P10636 3/20 0.53
THRB P10828 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA7 P43166 1/20 0.51
POLB P06746 2/20 0.42
MAPK1 P28482 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
ACKR3 P25106 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL6323904 0.92 CA1 (0.56) TP53MAPTTHRBCA1CA2
SCHEMBL6319274 0.91 CA1 (0.55) TP53MAPTTHRBCA1CA2
SCHEMBL6323308 0.90 ACKR3 (0.42) TP53MAPTTHRBCA1CA2
SCHEMBL6324573 0.90 CA1 (0.54) TP53MAPTTHRBCA1CA2
SCHEMBL6314783 0.90 CA1 (0.54) TP53MAPTTHRBCA1CA2
SCHEMBL6318885 0.89 ACKR3 (0.41) TP53MAPTTHRBCA1CA2
SCHEMBL6318198 0.88 RXFP1 (0.46) TP53MAPTTHRBCA1CA2
SCHEMBL6321613 0.88 CA1 (0.58) TP53MAPTTHRBCA1CA2
SCHEMBL6324126 0.84 CA1 (0.54) MAPTCA1CA2CA4CA7
SCHEMBL6321118 0.83 CA1 (0.53) TP53MAPTTHRBCA1CA2

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 6 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
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 TP53 609/4885MAPT 281/4885THRB 2605/4885

“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.