SCHEMBL12828709

SCHEMBL12828709

COc1cnc(-c2cncnc2)c2[nH]cc(C(=O)C(=O)N3CCC(=C(C#N)c4ccccc4)CC3)c12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
CNR2 P34972 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM1A O60341 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL12829047 0.92 CYP2C9 (0.55) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12828757 0.91 CYP2C9 (0.55) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12829046 0.91 CYP2C9 (0.55) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12829031 0.90 CYP2C9 (0.54) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12828484 0.90 CYP2C9 (0.54) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12829033 0.90 CYP2C9 (0.54) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12828712 0.89 CYP2C9 (0.53) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL14263027 0.89 CYP2C9 (0.53) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12828756 0.89 CYP2C9 (0.53) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8
SCHEMBL12828705 0.89 CYP2C9 (0.56) CYP2C9CYP3A4CYP2D6CYP1A2CYP2C8

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
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
US-7915283-B2 e.g. 1-[4-(1-Phenyl-1-(pyrazinyl)-methylene)-piperidin-1-yl]-2-(4-methoxy-7-pyrazinyl-6-azaindol-3-yl)-ethane-1,2-dione; viricides for prophylaxis of lympadenopathy associated virus; synergystic mixtures with immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-29 US disclosed
US-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY 2008-08-07 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CYP2C9 453/4885CYP3A4 62/4885CYP2D6 233/4885

“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.