SCHEMBL5138199

SCHEMBL5138199

COc1cccc(-c2onc3ccc(-c4c[nH]nc4-c4ccccn4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 2/20 0.47
GRM5 P41594 1/20 0.47
IP6K1 Q92551 3/20 0.44
IP6K3 Q96PC2 3/20 0.44
IP6K2 Q9UHH9 3/20 0.44
KMT2A Q03164 3/20 0.44
TGFBR1 P36897 1/20 0.43
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TOP1 P11387 1/20 0.38
MAP4K4 O95819 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 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
SCHEMBL5138429 0.91 MEN1 (0.50) SMN1; SMN2MAPK1NPC1RAB9APKM
SCHEMBL5138997 0.83 PIM1 (0.49) SMN1; SMN2MAPK1NPC1RAB9APKM
SCHEMBL5139037 0.83 MEN1 (0.39) SMN1; SMN2NPC1RAB9AIP6K1IP6K3
SCHEMBL27648485 0.82 TGFBR1 (0.53) SMN1; SMN2NPC1RAB9APKMGRM5
SCHEMBL5200816 0.81 IP6K1 (0.37) SMN1; SMN2NPC1RAB9AIP6K1IP6K3
SCHEMBL373555 0.80 TGFBR1 (0.64) SMN1; SMN2NPC1RAB9APKMGRM5
SCHEMBL5930941 0.79 TGFBR1 (0.38) SMN1; SMN2NPC1IP6K1IP6K3IP6K2
SCHEMBL5138712 0.77 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9AIP6K1IP6K3
SCHEMBL27648467 0.77 TGFBR1 (0.48) SMN1; SMN2NPC1RAB9APKMGRM5
SCHEMBL5138504 0.75 DYRK1A (0.46) MAPK1NPC1RAB9APKMTGFBR1

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
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
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 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 SMN1; SMN2 3128/4885MAPK1 1117/4885NPC1 3127/4885

“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.