Sugi Predict

Sugi Predict / Compounds / SCHEMBL6314911

SCHEMBL6314911

SCHEMBL6314911

Nc1onc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ ACP3 P15309 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ KIFC1 Q9BW19 1/20 0.40
▸ SLC9A1 P19634 1/20 0.39
▸ TACR3 P29371 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR34 Q9UPC5 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
SCHEMBL6323740 0.87 MAPT (0.45) TACR3ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL6317711 0.86 CYP1A2 (0.50) CYP1A2CYP2C19SLC9A1TACR3KMT2A
SCHEMBL6317464 0.84 HPGD (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6315379 0.84 CYP1A2 (0.48) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6319033 0.84 CYP1A2 (0.43) CYP1A2CYP2C19HDAC1HDAC6SLC9A1
SCHEMBL6315995 0.83 FAAH (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6314969 0.83 CYP1A2 (0.49) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6317335 0.82 MLYCD (0.46) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6317328 0.82 CYP1A2 (0.53) CYP1A2CYP2C19SLC9A1HPGDKMT2A
SCHEMBL6316453 0.81 FAAH (0.53) CYP1A2CYP2C19HDAC1HDAC6SLC9A1

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 6 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
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 CYP1A2 4402/4885CYP2C19 3888/4885HDAC1 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.