SCHEMBL6165618

SCHEMBL6165618

COc1cc(CNc2cccc(-c3c[nH]nn3)c2)ccc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 1/20 0.46
IGF1R P08069 1/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BRAF P15056 1/20 0.43
PTGS1 P23219 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ROCK2 O75116 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL6170747 0.76 CYP1A2 (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6160225 0.75 INSR (0.51) INSRIGF1RMAPTALDH1A1MEN1
SCHEMBL5612905 0.75 METAP2 (0.61) MAPTALDH1A1MAPK1BRAFSMN1; SMN2
SCHEMBL5612752 0.74 METAP2 (0.46) INSRIGF1RALDH1A1SMN1; SMN2HTT
SCHEMBL4716559 0.71 HIF1A (0.60) INSRIGF1RMEN1KMT2APTGS1
SCHEMBL10119743 0.71 MAPT (0.71) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5612710 0.71 MAPT (0.59) MAPTALDH1A1MEN1KMT2ABRAF
SCHEMBL6167279 0.71 FFAR1 (0.45) MAPK1LMNAHSD17B10KDM4E
SCHEMBL5612898 0.70 HPGD (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL24027900 0.69 CYP2C19 (0.46) MAPTALDH1A1MAPK1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US disclosed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 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 (2 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP INSR 2036/4885IGF1R 569/4885MAPT 2605/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP INSR 1878/4885IGF1R 751/4885MAPT 2341/4885

“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.