SCHEMBL14328175

SCHEMBL14328175

CNc1cccc(-c2cn[nH]c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.47
▸ AKT2 P31751 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ GRM4 Q14833 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ FLT3 P36888 3/20 0.42
▸ NRAS P01111 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ HIPK1 Q86Z02 2/20 0.40
▸ HIPK2 Q9H2X6 2/20 0.40
▸ HIPK3 Q9H422 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ ILK Q13418 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL15326994 0.77 CCR1 (0.54) AKT1AKT2MAPK8IRAK4MAPK1
SCHEMBL29590240 0.77 CCR1 (0.54) AKT1AKT2MAPK8IRAK4MAPK1
SCHEMBL3151894 0.75 NCF1 (0.48) KCNH2MAPK1MAPTCNR1PIM1
SCHEMBL3510580 0.75 AKT2 (0.53) AKT1AKT2MAPK8IRAK4GRM4
SCHEMBL30729450 0.75 AKT2 (0.53) AKT1AKT2MAPK8IRAK4GRM4
SCHEMBL5914189 0.74 MEN1 (0.60) KCNH2CNR1PIM1
SCHEMBL20998476 0.74 AKT2 (0.52) AKT1AKT2MAPK8IRAK4GRM4
SCHEMBL13464878 0.74 AKT2 (0.52) AKT1AKT2MAPK8IRAK4GRM4
SCHEMBL17032665 0.73 AKT1 (0.47) AKT1AKT2MAPK8IRAK4GRM4
SCHEMBL17031771 0.73 MAPK8 (0.49) AKT1AKT2MAPK8IRAK4MAPK1

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-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 — — US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 — — 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-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 AKT1 2996/4885AKT2 3046/4885MAPK8 3290/4885

“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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