SCHEMBL6317440

SCHEMBL6317440

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
GAA P10253 3/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ESR1 P03372 1/20 0.39
GABRA5 P31644 1/20 0.38
MAPT P10636 2/20 0.38
KDR P35968 1/20 0.38
GLA P06280 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
SCHEMBL6324099 0.89 CA1 (0.41) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6317243 0.89 GAA (0.43) KMT2ARAB9AALDH1A1CA1CA2
SCHEMBL6323150 0.88 RXFP1 (0.43) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6324126 0.87 CA1 (0.54) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316264 0.87 KDM4E (0.44) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6315933 0.87 KDM4E (0.44) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6315650 0.87 KDM4E (0.44) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6317494 0.87 RAB9A (0.43) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6316623 0.86 CA1 (0.40) RXFP1PPARGKMT2ANR2E3NCOR2
SCHEMBL6315554 0.84 RXFP1 (0.49) RXFP1KMT2ARAB9AALDH1A1CA1

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 RXFP1 4558/4885PPARG 1201/4885KMT2A 1089/4885

“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.