SCHEMBL6324743

SCHEMBL6324743

Nc1onc(-c2ccc(Cl)s2)c1C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
PLA2G1B P04054 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATG4B Q9Y4P1 1/20 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
CCR1 P32246 4/20 0.48
ADORA1 P30542 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
MLYCD O95822 1/20 0.45
PTGER4 P35408 1/20 0.42

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
SCHEMBL6315582 0.90 CCR1 (0.48) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL6318267 0.89 ADORA1 (0.46) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL6321860 0.88 CCR1 (0.45) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL6318405 0.88 CA1 (0.51) KMT2ACA1CA2CA4CA7
SCHEMBL6317700 0.88 CA1 (0.52) GAACA1CA2CA4CA7
SCHEMBL6316598 0.85 CA1 (0.56) MEN1CYP1A2GAACYP2D6CYP2C19
SCHEMBL6321669 0.83 TACR1 (0.48) CA1CA2CA4CA7MLYCD
SCHEMBL6323549 0.83 CA1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL6316256 0.82 MEN1 (0.50) MEN1PLA2G1BCYP1A2CYP3A4GAA
SCHEMBL6315439 0.82 MAOB (0.42) CA1CA2CA4CA7MLYCD

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 MEN1 2789/4885PLA2G1B 3212/4885CYP1A2 4402/4885

“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.