SCHEMBL5138087

SCHEMBL5138087

c1ccc(-c2n[nH]cc2-c2ccc3oncc3c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
PKM P14618 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
KLF5 Q13887 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIM1 P11309 2/20 0.35
NPC1 O15118 3/20 0.34
TGFBR1 P36897 6/20 0.34
RAB9A P51151 3/20 0.33
CLK2 P49760 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
DYRK2 Q92630 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33

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
SCHEMBL25822610 0.78 NPC1 (0.36) TDO2KDM4EHSD17B10TP53MAPT
SCHEMBL5138250 0.78 NPC1 (0.51) KDM4EHSD17B10TP53MAPTPKM
SCHEMBL5139212 0.77 DYRK1A (0.40) KDM4EHSD17B10TP53PKMSMN1; SMN2
SCHEMBL5985411 0.76 TDO2 (0.52) TDO2KDM4EPIM1NPC1TGFBR1
SCHEMBL5202666 0.76 MAP3K11 (0.46) NPC1DYRK2LRRK2
SCHEMBL23418360 0.75 NPC1 (0.36) TDO2KDM4ESMN1; SMN2PIM1NPC1
SCHEMBL25822607 0.75 NPC1 (0.42) KDM4EHSD17B10TP53MAPTPKM
SCHEMBL5697021 0.75 DYRK1A (0.40) KDM4EHSD17B10TP53MAPTPKM
SCHEMBL5138443 0.75 TGFBR1 (0.46) KDM4EMAPTPKMSMN1; SMN2LMNA
SCHEMBL27628474 0.74 TGFBR1 (0.49) KDM4ETP53PKMSMN1; SMN2LMNA

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 TDO2 2660/4885KDM4E 40/4885HSD17B10 2488/4885

“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.