SCHEMBL2980074

SCHEMBL2980074

O=C(NC1CCCC1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.66
USP30 Q70CQ3 2/20 0.65
ERN1 O75460 1/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
KDM4E B2RXH2 1/20 0.59
GFER P55789 1/20 0.59
HSD17B10 Q99714 1/20 0.59
HDAC8 Q9BY41 1/20 0.58
FAAH O00519 1/20 0.58
KDM1A O60341 1/20 0.58
GRM5 P41594 1/20 0.58

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
SCHEMBL1928387 0.98 RAB9A (0.67) PKML3MBTL1USP30ERN1NPC1
SCHEMBL3037026 0.88 ERN1 (0.65) PKML3MBTL1ERN1NPC1RAB9A
SCHEMBL16622858 0.88 NPC1 (0.64) PKMERN1NPC1RAB9ASMN1; SMN2
SCHEMBL8161568 0.85 NPC1 (0.87) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6707186 0.85 RAB9A (0.79) PKML3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL9265040 0.85 RAB9A (0.79) PKML3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL161227 0.85 NPC1 (0.72) PKML3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14980322 0.84 DRD2 (0.63) USP30NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL22308180 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22289346 0.84 NPC1 (0.84) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 PKM 505/4885L3MBTL1 2322/4885USP30 1726/4885

“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.