SCHEMBL4783573

SCHEMBL4783573

CN(C)CCN(C)c1n[nH]c2ccc(N)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
AXL P30530 2/20 0.41
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.36
EGFR P00533 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
JAK2 O60674 4/20 0.35
PDPK1 O15530 1/20 0.35
AURKA O14965 1/20 0.34
WNT1 P04628 2/20 0.34
DYRK1A Q13627 2/20 0.34
ROCK2 O75116 2/20 0.33
CDC7 O00311 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PRKACA P17612 1/20 0.33
CDK2 P24941 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
SCHEMBL4785930 0.78 GSK3B (0.41) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL29377929 0.78 GSK3B (0.46) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL4989629 0.76 GSK3B (0.42) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL14173434 0.74 GSK3B (0.56) GSK3BAXLNTRK1HRH3WNT1
SCHEMBL4995598 0.72 GSK3B (0.53) GSK3BAXLNTRK1WNT1DYRK1A
SCHEMBL10370578 0.70 GSK3B (0.40) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL4782714 0.70 MAP2K4 (0.41) DYRK1ATDP1
SCHEMBL118573 0.69 JAK2 (0.64) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL4783277 0.69 MAP2K4 (0.40) DYRK1ATDP1
SCHEMBL266855 0.69 GSK3B (0.56) GSK3BAXLHTR2AHTR2CHTR2B

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
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 1060/4885HTR2A 191/4885

“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.