SCHEMBL4559520

SCHEMBL4559520

COc1cccc(NC(=O)C(=O)N2CCNCC2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 2/20 0.61
NAMPT P43490 1/20 0.46
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
PKM P14618 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL4559529 0.88 KMT2A (0.78) L3MBTL1ALDH1A1KMT2ASMN1; SMN2PKM
SCHEMBL4559296 0.79 ALDH1A1 (0.60) L3MBTL1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4559394 0.78 KMT2A (0.57) L3MBTL1ALDH1A1KMT2AKDM4ETDP1
SCHEMBL4559855 0.76 POLB (0.53) L3MBTL1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4558440 0.76 NPC1 (0.57) L3MBTL1ALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL5462720 0.75 RAB9A (0.62) L3MBTL1KMT2ANAMPTBRD4SMN1; SMN2
SCHEMBL10372412 0.75 ALDH1A1 (0.66) ALDH1A1KMT2ASMN1; SMN2MAPK1HTT
SCHEMBL651830 0.75 PKM (0.76) L3MBTL1ALDH1A1KMT2ASMN1; SMN2PKM
SCHEMBL4559727 0.74 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4557548 0.74 SMN1; SMN2 (0.46) L3MBTL1ALDH1A1KMT2ASMN1; SMN2RAB9A

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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 L3MBTL1 2378/4885ALDH1A1 2146/4885KMT2A 2079/4885

“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.