SCHEMBL6316464

SCHEMBL6316464

Nc1onc(-c2ccc(Cl)s2)c1C(=O)NCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
TSHR P16473 2/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 4/20 0.51
RAB9A P51151 9/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL6315025 0.88 ALDH1A1 (0.53) HPGDTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL6317923 0.87 ALDH1A1 (0.48) HPGDTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL6316562 0.86 RAB9A (0.57) HPGDTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL6316598 0.85 CA1 (0.56) CA1CA2CA4CA7ALDH1A1
SCHEMBL6322701 0.83 CA1 (0.54) HPGDTSHRCA1CA2CA4
SCHEMBL6317138 0.82 ALDH1A1 (0.53) HPGDTSHRCA1CA2CA4
SCHEMBL6320130 0.81 CA1 (0.55) HPGDTSHRCA1CA2CA4
SCHEMBL6316785 0.81 CA1 (0.52) HPGDTSHRCA1CA2CA4
SCHEMBL6317667 0.81 CA2 (0.52) HPGDTSHRCA1CA2CA4
SCHEMBL6317700 0.81 CA1 (0.52) CA1CA2CA4CA7RAB9A

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 HPGD 2923/4885TSHR 3971/4885CA1 2406/4885

“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.