SCHEMBL6316258

SCHEMBL6316258

Nc1onc(-c2cccnc2)c1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
HPGD P15428 3/20 0.62
HCRTR1 O43613 1/20 0.59
HCRTR2 O43614 1/20 0.59
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
AURKA O14965 1/20 0.53
HSD17B10 Q99714 2/20 0.53
FAAH O00519 1/20 0.52
RECQL P46063 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH2 P05091 1/20 0.52
TP53 P04637 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL6317581 0.83 ALDH1A1 (0.52) GAAHCRTR1HCRTR2ALDH1A1KMT2A
SCHEMBL6316553 0.83 ALDH1A1 (0.66) GAAALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL6324120 0.82 ALDH1A1 (0.60) HPGDHCRTR1HCRTR2ALDH1A1KMT2A
SCHEMBL6315811 0.82 TSHR (0.56) GAAHPGDALDH1A1MEN1KMT2A
SCHEMBL6324209 0.82 RECQL (0.58) GAAHPGDHCRTR1HCRTR2ALDH1A1
SCHEMBL6317470 0.82 ALDH1A1 (0.54) HPGDHCRTR1HCRTR2ALDH1A1KMT2A
SCHEMBL6316235 0.82 NPC1 (0.58) GAAHCRTR1HCRTR2ALDH1A1MEN1
SCHEMBL6317545 0.82 ALDH1A1 (0.62) GAAHPGDHCRTR1HCRTR2ALDH1A1
SCHEMBL6317485 0.81 HCRTR2 (0.59) HPGDHCRTR1HCRTR2ALDH1A1RECQL
SCHEMBL6324556 0.81 GAA (0.57) GAAHPGDALDH1A1MEN1KMT2A

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 GAA 789/4885HPGD 2923/4885HCRTR1 4375/4885

“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.