SCHEMBL1473243

SCHEMBL1473243

COC(=O)C(=O)c1c[nH]c2c(-c3nnc(C)[nH]3)ncc(OC)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 1/20 0.36
DPP4 P27487 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
SYK P43405 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
SCHEMBL12752285 0.91 CYP2C9 (0.41) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL1472568 0.90 CYP2C9 (0.41) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL13899210 0.81 CYP2C9 (0.44) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL4070811 0.79 CYP2C9 (0.42) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL13119403 0.78 CYP2C9 (0.57) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL1472512 0.78 CYP2C9 (0.38) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL1472515 0.78 CYP2C9 (0.43) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL3933553 0.77 CYP2C9 (0.43) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL1762967 0.77 CYP2C9 (0.43) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6
SCHEMBL1472461 0.73 CYP3A4 (0.46) CYP2C9CYP3A4CYP1A2CYP2C8CYP2D6

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-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
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 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-20080188481-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES IDO1, IDO2, INMT CYP2C9 453/4885CYP3A4 62/4885CYP1A2 183/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CYP2C9 520/4885CYP3A4 41/4885CYP1A2 101/4885

“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.