SCHEMBL6317464

SCHEMBL6317464

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK14 Q16539 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
SLC9A1 P19634 1/20 0.43
ALPL P05186 1/20 0.43
RORC P51449 1/20 0.43
CNR2 P34972 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 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
SCHEMBL6317335 0.95 MLYCD (0.46) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6317678 0.94 CYP1A2 (0.47) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6318314 0.93 TACR1 (0.45) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6315919 0.92 CYP1A2 (0.47) HPGDKDM4EPOLBMAPTCYP1A2
SCHEMBL6320981 0.92 HPGD (0.43) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6322892 0.91 DDT (0.46) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6324730 0.91 HPGD (0.46) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6315995 0.91 FAAH (0.46) HPGDKDM4EPOLBGAAMAPT
SCHEMBL6317255 0.90 RECQL (0.50) HPGDKDM4EPOLBMAPTCYP1A2
SCHEMBL6316104 0.90 CTSL (0.46) HPGDKDM4ECYP1A2CYP2C19MAPK14

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 2923/4885KDM4E 1382/4885POLB 872/4885

“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.