SCHEMBL720698

SCHEMBL720698

c1cncc(-c2cnc3cc4c(cc3n2)CCNCC4)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PDGFRB P09619 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
RAB9A P51151 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP19A1 P11511 1/20 0.41
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
ACVR1 Q04771 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PKN2 Q16513 1/20 0.40
CYP1A2 P05177 2/20 0.40

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
Trifluoroacetic Acid SCHEMBL719107 0.90 L3MBTL1 (0.46) MAPK1HPGDSMN1; SMN2NPC1PDGFRB
SCHEMBL720702 0.84 PKN2 (0.43) MAPK1CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL21074730 0.75 CHRNB4 (0.52) MAPK1HPGDCHRNB2CHRNA4
SCHEMBL4195132 0.73 CHRNB2 (0.44) NPC1CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL6620394 0.73 PIM1 (0.64) MAPK1HPGDSMN1; SMN2NPC1PDGFRB
SCHEMBL6620239 0.73 PIM1 (0.64) MAPK1HPGDSMN1; SMN2NPC1PDGFRB
SCHEMBL29832898 0.73 MAPK1 (0.59) MAPK1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL483809 0.73 MAPK1 (0.59) MAPK1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL719123 0.70 DRD2 (0.44) CHRNB2CHRNA4ALDH1A1
SCHEMBL27983850 0.69 HPGD (0.68) MAPK1HPGDNPC1RAB9AALDH1A1

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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US claimed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO claimed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 MAPK1 2824/4885HPGD 1966/4885SMN1; SMN2 395/4885

“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.