SCHEMBL5668701

SCHEMBL5668701

Ic1cnn(-c2ccccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.57
EGLN1 Q9GZT9 1/20 0.57
GRM4 Q14833 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
GRM5 P41594 1/20 0.48
MTOR P42345 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
PLD1 Q13393 1/20 0.37
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
CRBN Q96SW2 1/20 0.36
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL29530822 0.79 NPC1 (0.38) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL3923413 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL20658802 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL15671484 0.78 EGLN1 (0.57) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL2159890 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL3149078 0.78 ALKBH2 (0.57) ALKBH2EGLN1GRM4DRD2DRD4
Bromide SCHEMBL6694084 0.76 ALKBH2 (0.55) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL16566387 0.76 ALKBH2 (0.33) ALKBH2EGLN1
SCHEMBL12075257 0.75 ALKBH2 (0.54) ALKBH2EGLN1GRM4DRD2DRD4
SCHEMBL23872054 0.74 ALKBH2 (0.53) ALKBH2EGLN1GRM4DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN claimed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN claimed
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN disclosed
CN-114316222-B Polymer rich in aromatic ring structure, and preparation method and application thereof 盐城工学院 2024-05-28 CN disclosed
WO-2023283523-A1 2,3-DIHYDROBENZO[B][L,4]DIOXIN-6-YL CONTAINING COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-12 WO disclosed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN disclosed
CN-114316222-A Polymer rich in aromatic ring structure and preparation method and application thereof 盐城工学院 2022-04-12 CN disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
CN-100387594-C Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2008-05-14 CN disclosed
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. 2006-08-31 US disclosed
CN-1795184-A Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-06-28 CN disclosed
EP-1613614-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP disclosed
WO-2004089303-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 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 (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-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRM1, GRIK5 ALKBH2 4743/4885EGLN1 2991/4885GRM4 15/4885

“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.