SCHEMBL4785930

SCHEMBL4785930

CN(C)C(=O)CN(C)c1n[nH]c2ccc(N)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
AXL P30530 1/20 0.38
JAK2 O60674 3/20 0.35
ULK1 O75385 1/20 0.35
MAT2A P31153 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAP4K4 O95819 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
NGFR P08138 1/20 0.33
CDC7 O00311 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33

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
SCHEMBL4989629 0.85 GSK3B (0.42) GSK3BAXLJAK2ULK1MAT2A
SCHEMBL4783573 0.78 GSK3B (0.44) GSK3BAXLJAK2HTR2AHTR2C
SCHEMBL16910325 0.75 CDC7 (0.48) GSK3BAXLULK1HTR2AHTR2C
SCHEMBL4101185 0.69 KDM4E (0.68) GSK3BMAPK1
SCHEMBL4784577 0.68 MAPT (0.51) HPGD
SCHEMBL23368472 0.67 GSK3B (0.47) GSK3BAXLJAK2ULK1HTR2A
SCHEMBL4008217 0.67 PRKAG1 (0.56) GSK3BAXLJAK2ULK1HTR2A
SCHEMBL12193634 0.67 KDM4E (0.53) GSK3BJAK2ULK1MAP4K4HAO1
SCHEMBL4781566 0.67 MAPT (0.44) HPGD
SCHEMBL4985168 0.66 CDK2 (0.49) GSK3BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R GSK3B 2436/4885AXL 1060/4885JAK2 337/4885

“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.