SCHEMBL18076065

SCHEMBL18076065

COc1ccnc(C(N)=O)c1-c1cccnc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ PDE2A O00408 4/20 0.42
▸ PDE10A Q9Y233 4/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PLAU P00749 1/20 0.41
▸ IKBKB O14920 2/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ PDPK1 O15530 1/20 0.37
▸ POLQ O75417 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ EED O75530 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ CCNT1 O60563 1/20 0.36

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
SCHEMBL31255717 0.82 MKNK1 (0.52) MKNK1MKNK2IKBKBDHODHNPC1
SCHEMBL18076069 0.80 MKNK1 (0.50) MKNK1MKNK2PDE2APDE10APDE4A
SCHEMBL29503858 0.76 PLAU (0.53) MKNK1MKNK2PLAUIKBKBNPC1
SCHEMBL1101140 0.76 PLAU (0.53) MKNK1MKNK2PLAUIKBKBNPC1
SCHEMBL27339338 0.75 IKBKB (0.47) IKBKBMAPK8CAMKK2
SCHEMBL7020144 0.75 KDM4E (0.47) MKNK1MKNK2IKBKB
SCHEMBL18076044 0.74 CCNC (0.47) IKBKBPOLQ
SCHEMBL17785403 0.73 IKBKB (0.46) PLAUIKBKBDHODHCCNT1CDK9
SCHEMBL30362791 0.73 IKBKB (0.40) PLAUIKBKBNPC1RAB9AFYN
SCHEMBL14308482 0.71 IKBKB (0.47) MKNK1MKNK2PLAUIKBKB

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 1262/4885PDE2A 3067/4885
US-20180072674-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRIN2A MKNK1 1025/4885MKNK2 665/4885PDE2A 1827/4885

“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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