SCHEMBL6323308

SCHEMBL6323308

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 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
SCHEMBL6317644 0.92 GAA (0.44) TP53GAACA1CA2CA4
SCHEMBL6318885 0.91 ACKR3 (0.41) ACKR3TP53MAPTTHRBGAA
SCHEMBL6321826 0.91 GAA (0.43) TP53GAACA1CA2CA4
SCHEMBL6318436 0.90 TP53 (0.53) ACKR3TP53MAPTTHRBGAA
SCHEMBL6318198 0.90 RXFP1 (0.46) ACKR3TP53MAPTTHRBGAA
SCHEMBL6322769 0.89 ALOX15 (0.43) TP53GAACA1CA2CA4
SCHEMBL6319057 0.89 ALOX15 (0.43) TP53GAACA1CA2CA4
SCHEMBL6324330 0.89 ALOX15 (0.43) TP53GAACA1CA2CA4
SCHEMBL6324224 0.87 CA1 (0.44) TP53MAPTTHRBGAACA1
SCHEMBL6317243 0.83 GAA (0.43) MAPTGAACA1CA2CA4

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 ACKR3 2327/4885TP53 609/4885MAPT 281/4885

“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.