SCHEMBL6315541

SCHEMBL6315541

COc1ccc(-c2noc(N)c2C(=O)NCc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.46
CDK2 P24941 1/20 0.46
HDAC1 Q13547 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDR P35968 2/20 0.41
TEK Q02763 1/20 0.41
KDM1A O60341 3/20 0.40
GABRA1 P14867 1/20 0.40
POLB P06746 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PPARA Q07869 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL6318699 0.92 TACR1 (0.44) GSK3BCDK2HDAC1MAPTLMNA
SCHEMBL6316803 0.89 ROCK2 (0.46) MAPTALDH1A1POLBHCRTR1HCRTR2
SCHEMBL6315348 0.89 ADRB2 (0.46) GSK3BCDK2HDAC1MAPTLMNA
SCHEMBL6316520 0.89 MAPT (0.52) GSK3BCDK2HDAC1MAPTLMNA
SCHEMBL6323365 0.89 CDK2 (0.47) GSK3BCDK2HDAC1SMN1; SMN2MAPT
SCHEMBL6324039 0.88 ALDH1A1 (0.52) GSK3BCDK2HDAC1MAPTLMNA
SCHEMBL6323629 0.85 MET (0.44) GSK3BCDK2HDAC1SMN1; SMN2MAPT
SCHEMBL6321897 0.84 SMN1; SMN2 (0.47) HDAC1SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL6324450 0.84 NTRK1 (0.45) HDAC1SMN1; SMN2LMNAGABRA1POLB
SCHEMBL6323609 0.83 ADORA2A (0.48) GSK3BCDK2HDAC1LMNAALDH1A1

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 GSK3B 167/4885CDK2 284/4885HDAC1 907/4885

“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.