SCHEMBL6317255

SCHEMBL6317255

COc1ccc(CNC(=O)c2c(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)noc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTSS P25774 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44
SLC9A1 P19634 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
SCHEMBL6322075 0.92 CYP1A2 (0.48) RECQLCYP1A2CYP2C19CTSSMAPT
SCHEMBL6316104 0.92 CTSL (0.46) RECQLCYP1A2CYP2C19CTSSALDH1A1
SCHEMBL6317678 0.91 CYP1A2 (0.47) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL6315919 0.91 CYP1A2 (0.47) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL6316392 0.90 SMN1; SMN2 (0.49) CYP1A2CYP2C19ALDH1A1KMT2AMEN1
SCHEMBL6317464 0.90 HPGD (0.46) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL6321105 0.89 TAS1R3 (0.43) RECQLCYP1A2CYP2C19CTSSMAPT
SCHEMBL6317335 0.89 MLYCD (0.46) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL6318314 0.88 TACR1 (0.45) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL6318194 0.87 MEN1 (0.53) MAPTALDH1A1KMT2AMEN1POLB

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 5 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

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 RECQL 2512/4885CYP1A2 4402/4885CYP2C19 3888/4885

“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.