SCHEMBL13706992

SCHEMBL13706992

O=C1CCCc2nc(-c3nc(F)c(-c4cccnc4)[nH]3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
CYP11B1 P15538 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPY5R Q15761 3/20 0.39
BTK Q06187 1/20 0.38
PKN2 Q16513 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
GRM5 P41594 2/20 0.36
MAPT P10636 1/20 0.36
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
DYRK1A Q13627 2/20 0.34

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
SCHEMBL13824662 0.84 PARP1 (0.41) PARP1CYP11B1CYP1A2CYP11B2NPY5R
SCHEMBL8283777 0.83 CYP1A2 (0.50) CYP11B1CYP1A2CYP11B2NPY5RPKN2
SCHEMBL13707022 0.83 CYP2C19 (0.42) PARP1CYP11B1GRM5
SCHEMBL13707070 0.83 GRM5 (0.41) PARP1CYP11B1CYP11B2NPY5RBTK
SCHEMBL4330065 0.81 GRM5 (0.48) PARP1CYP11B1CYP1A2CYP11B2NPY5R
SCHEMBL13706983 0.77 USP2 (0.39) CYP11B1CYP1A2CYP11B2NPY5RPKN2
SCHEMBL13824564 0.74 ALDH1A1 (0.45) CYP11B1CYP1A2CYP11B2KMT2A
SCHEMBL4433682 0.73 PRKDC (0.45) CYP11B1CYP1A2CYP11B2PARP10PARP11
SCHEMBL4431180 0.71 MKNK1 (0.48) CYP11B1CYP1A2CYP11B2MAPT
SCHEMBL13707059 0.70 PARP10 (0.43) CYP11B1CYP11B2PARP10PARP11GRM5

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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-09-10 US disclosed
US-7550482-B2 Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors MERZ PHARMA GMBH & CO. KGAA (DE) 2009-06-23 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 (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-20090227582-A1 Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors GRM1, GRM5, GRM2 PARP1 4453/4885CYP11B1 1583/4885CYP1A2 2874/4885

“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.