SCHEMBL6740893

SCHEMBL6740893

COc1ccc(N2CCN(c3nc(N4CCOCC4)nc(N4CCN(c5ccc(OC)cc5)CC4)n3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.86
L3MBTL1 Q9Y468 2/20 0.86
KMT2A Q03164 5/20 0.68
MEN1 O00255 3/20 0.68
RAB9A P51151 2/20 0.62
AKR1C3 P42330 1/20 0.60
MAPK1 P28482 4/20 0.58
PIK3CD O00329 2/20 0.58
PIK3CA P42336 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PIK3CB P42338 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
TAAR1 Q96RJ0 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DRD2 P14416 1/20 0.54

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
SCHEMBL2208450 0.88 AKR1C3 (0.68) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL4349056 0.86 AKR1C3 (0.66) MAPTL3MBTL1KMT2AMEN1RAB9A
Nitrogen SCHEMBL7794313 0.83 AKR1C3 (0.62) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL18415522 0.83 AKR1C3 (0.62) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL23657747 0.82 MAPT (0.72) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL6736048 0.81 PIK3CA (0.66) MAPTL3MBTL1KMT2AMEN1MAPK1
SCHEMBL28599511 0.80 HTR3E (0.73) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL29656856 0.80 HTR3E (0.73) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL10680649 0.80 AKR1C3 (0.58) MAPTL3MBTL1KMT2AMEN1RAB9A
SCHEMBL11396473 0.79 MAPT (0.65) MAPTL3MBTL1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 WO claimed
US-20040082627-A1 Certain aromatic monocycles as kinase modulators CGI PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004000820-A2 CERTAIN AROMATIC MONOCYCLES AS KINASE MODULATORS CELLULAR GENOMICS, INC. (US) 2003-12-31 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-20040082627-A1 Certain aromatic monocycles as kinase modulators MAP3K20, MAP3K1, MAP3K19 MAPT 2507/4885L3MBTL1 2483/4885KMT2A 489/4885

“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.