SCHEMBL18076069

SCHEMBL18076069

COc1c(-c2cccnc2C)ccnc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.50
▸ MKNK2 Q9HBH9 2/20 0.50
▸ POLQ O75417 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ IKBKB O14920 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ S100A4 P26447 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NNMT P40261 1/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ SQOR Q9Y6N5 1/20 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
SCHEMBL18076065 0.80 MKNK1 (0.49) MKNK1MKNK2POLQP2RX7IKBKB
SCHEMBL233227 0.78 MKNK1 (0.53) MKNK1MKNK2IKBKBNUDT1
SCHEMBL18076046 0.75 CCNC (0.51) MKNK2POLQIKBKBIRAK4
SCHEMBL31255717 0.74 MKNK1 (0.52) MKNK1MKNK2P2RX7IKBKBL3MBTL1
SCHEMBL30362795 0.74 KDM4C (0.39) IKBKBL3MBTL1BRD4NUDT1FYN
SCHEMBL2493871 0.71 HDAC4 (0.45) MKNK1MKNK2IKBKBL3MBTL1FYN
Hydrochloric Acid SCHEMBL5008136 0.71 IKBKB (0.46) IKBKBL3MBTL1NNMTFYN
SCHEMBL4560363 0.71 MKNK1 (0.50) MKNK1MKNK2IKBKBL3MBTL1IRAK4
SCHEMBL30719725 0.71 KDM4E (0.53) MKNK1MKNK2P2RX7L3MBTL1DHODH
SCHEMBL29503858 0.71 PLAU (0.53) MKNK1MKNK2IKBKBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10538491-B2 4,5-substituted picolinamide and picolinonitrile metabotropic glutamate receptor 2 negative allosteric modulators VANDERBILT UNIVERSITY (US) 2020-01-21 — — US disclosed
US-20180072674-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY (US) 2018-03-15 — — US disclosed
WO-2016149324-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY (US) 2016-09-22 — — 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 (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-10538491-B2 4,5-substituted picolinamide and picolinonitrile metabotropic glutamate receptor 2 negative allosteric modulators GRM2, GRIA2, GRIN2A MKNK1 1881/4885MKNK2 1262/4885POLQ 4231/4885
US-20180072674-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRIN2A MKNK1 1025/4885MKNK2 665/4885POLQ 2216/4885

“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.

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