SCHEMBL6318253

SCHEMBL6318253

CCc1ccc(-c2noc(N)c2C(=O)NCc2cccc(F)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CHRM4 P08173 1/20 0.44
MAOB P27338 1/20 0.41
BACE1 P56817 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SCD O00767 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL6316383 0.90 CHRM4 (0.48) LMNAALDH1A1HPGDCHRM4MAOB
SCHEMBL6322173 0.89 ALDH1A1 (0.46) ALDH1A1HPGDMAOBADORA3ADORA2A
SCHEMBL6323513 0.89 ADORA1 (0.47) HPGDMAOBBACE1ADORA3ADORA2A
SCHEMBL6317805 0.88 GAA (0.48) ALDH1A1HPGDADORA1KMT2AMAPK1
SCHEMBL6321860 0.88 CCR1 (0.45) LMNAHPGDADORA1KMT2ARAB9A
SCHEMBL6315818 0.87 PDPK1 (0.45) CHRM4MAOBTHRB
SCHEMBL6322797 0.87 ALDH1A1 (0.46) LMNAALDH1A1HPGDCHRM4MAOB
SCHEMBL6318405 0.87 CA1 (0.51) LMNAALDH1A1HPGDCHRM4MAOB
SCHEMBL6314978 0.83 KMT2A (0.47) LMNAALDH1A1HPGDCHRM4KMT2A
SCHEMBL6315359 0.83 TACR1 (0.42) ALDH1A1HPGDMAOB

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 8 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-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-12-29 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 (2 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 LMNA 3334/4885ALDH1A1 4444/4885HPGD 2923/4885
US-20050288257-A1 Novel stable compositions of water and oxygen sensitive compounds and their method of preparation COXFA4L2, CYP2F1, ABCG2 LMNA 2909/4885ALDH1A1 964/4885HPGD 32/4885

“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.