SCHEMBL708967

SCHEMBL708967

C(=Cc1ccccn1)c1ccc2nccn2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 1/20 0.50
MAP4K4 O95819 1/20 0.47
PRKACA P17612 1/20 0.47
CDK8 P49336 1/20 0.47
MAPK14 Q16539 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PIK3CG P48736 1/20 0.45
DYRK1A Q13627 2/20 0.41
KEAP1 Q14145 1/20 0.41
ESR1 P03372 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL708966 1.00 MEN1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL31380880 0.85 MAP4K4 (0.54) MEN1KMT2AMAP4K4PRKACACDK8
SCHEMBL707624 0.78 NPC1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL707623 0.78 NPC1 (0.50) MEN1KMT2ANPC1RAB9AATM
SCHEMBL25816400 0.78 PIK3CG (0.50) MEN1KMT2AMAP4K4PRKACACDK8
SCHEMBL29419010 0.75 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL28595722 0.75 KMT2A (0.80) MEN1KMT2ANPC1RAB9AATM
SCHEMBL708700 0.74 NPC1 (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL708701 0.74 NPC1 (0.48) MEN1KMT2ANPC1RAB9AATM
SCHEMBL308042 0.73 PIK3CG (0.55) MEN1KMT2APIK3CGDYRK1AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124625-B2 enhancing the expression of apoAI; prevention or therapy of dislipidemia SHIONOGI & CO., LTD. (JP) 2012-02-28 US disclosed
US-8053445-B2 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2011-11-08 US disclosed
US-20090036457-A1 Utilities of olefin derivatives YAMAMORI TERUO 2009-02-05 US disclosed
US-20040242615-A1 Utilities of olefin derivatives SHIONOGI & CO., LTD. (JP) 2004-12-02 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 (2 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-20040242615-A1 Utilities of olefin derivatives APOL1, NR1H2, APOB MEN1 3997/4885KMT2A 3382/4885NPC1 19/4885
US-20090036457-A1 Utilities of olefin derivatives APOL1, APOB, NR1H2 MEN1 3163/4885KMT2A 3744/4885NPC1 48/4885

“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.