SCHEMBL6318358

SCHEMBL6318358

Nc1onc(-c2ccc(Cl)s2)c1C(=O)NC1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.54
TAS1R1 Q7RTX1 11/20 0.54
TAS1R2 Q8TE23 10/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
HTT P42858 1/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6317555 0.94 CA1 (0.50) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6315528 0.90 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6317746 0.89 RECQL (0.54) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6317145 0.87 RECQL (0.55) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6323197 0.84 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6316018 0.83 RECQL (0.46) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6322801 0.82 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6315002 0.81 RECQL (0.47) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6317293 0.80 RECQL (0.59) TAS1R3TAS1R1TAS1R2RECQLTSHR
SCHEMBL6322186 0.80 CA1 (0.57) CA1CA2CA4CA7HTT

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
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-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
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 TAS1R3 4289/4885TAS1R1 4258/4885TAS1R2 4472/4885

“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.