SCHEMBL7674620

SCHEMBL7674620

N#Cc1ccn(-c2ccccn2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.56
▸ MTOR P42345 2/20 0.40
▸ ALKBH2 Q6NS38 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ PLAUR Q03405 1/20 0.39
▸ RPTOR Q8N122 1/20 0.39
▸ MLST8 Q9BVC4 1/20 0.39
▸ GRM2 Q14416 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MPO P05164 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
SCHEMBL19100260 0.81 GRM5 (0.45) GRM5MTORCYP1A2GRIA1
SCHEMBL30794613 0.75 GRM5 (0.59) GRM5MTORPLAURPKMGRIA1
SCHEMBL4855602 0.74 CYP2C9 (0.47) GRM5KDM4EMEN1NPC1ALDH1A1
SCHEMBL12075251 0.73 GRM5 (0.47) GRM5PLAURKDM4EPKMMEN1
SCHEMBL26107606 0.73 KCNJ1 (0.36) GRM5KDM4ENPC1ALDH1A1
SCHEMBL1907360 0.73 MAPT (0.63) GRM5MTORALKBH2EGLN1RPTOR
SCHEMBL2160327 0.73 MPO (0.46) GRM5MTORALKBH2EGLN1RPTOR
SCHEMBL2643353 0.73 GRM5 (0.46) GRM5MTORALKBH2EGLN1RPTOR
SCHEMBL38651177 0.73 MAPT (0.63) GRM5MTORALKBH2EGLN1RPTOR
SCHEMBL29563483 0.73 MPO (0.46) GRM5MTORALKBH2EGLN1RPTOR

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
WO-2016084866-A1 NOVEL DIAZABICYCLO DERIVATIVE 持田製薬株式会社 2016-06-02 — — WO disclosed
US-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 2002-02-07 — — US disclosed
US-5691333-A APPLYING TO CONTROL ARTHROPODS AND NEMATODES RHONE-POULENC INC. (US) 1997-11-25 — — US disclosed
US-5629335-A Pesticidal 1-arylpyrazole-3-carboximidothioic acid esters RHONE-POULENC INC. (US) 1997-05-13 — — 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-20020016468-A1 PESTICIDAL 1-ARYLPYRAZOLE DERIVATIVES DDT, NAT1, CYP2E1 GRM5 947/4885MTOR 3952/4885ALKBH2 3855/4885

“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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