SCHEMBL5138429

SCHEMBL5138429

COc1ccc(-c2onc3ccc(-c4c[nH]nc4-c4ccccn4)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 6/20 0.44
PKM P14618 2/20 0.44
HSP90AA1 P07900 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 2/20 0.43
IP6K2 Q9UHH9 2/20 0.43
TGFBR1 P36897 3/20 0.41
POLB P06746 1/20 0.41
RUNX1 Q01196 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GRM5 P41594 1/20 0.38
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37

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
SCHEMBL5138199 0.91 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5138997 0.88 PIM1 (0.49) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5139037 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5200816 0.83 IP6K1 (0.37) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5138504 0.82 DYRK1A (0.46) ALDH1A1HPGDNPC1RAB9APKM
SCHEMBL5930941 0.80 TGFBR1 (0.38) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL27648467 0.80 TGFBR1 (0.48) NPC1RAB9APKMHSP90AA1L3MBTL1
Gw679410X SCHEMBL376414 0.80 TGFBR1 (0.63) NPC1RAB9APKMHSP90AA1L3MBTL1
SCHEMBL5138712 0.78 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL5138698 0.76 PDE10A (0.49) ALDH1A1HPGDTGFBR1SMN1; SMN2DYRK1A

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
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 EP claimed
JP-2006517592-A 2006-07-27 JP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 MEN1 3811/4885KMT2A 1169/4885ALDH1A1 45/4885

“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.