SCHEMBL4989629

SCHEMBL4989629

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.42
MAT2A P31153 1/20 0.37
AXL P30530 1/20 0.36
JAK2 O60674 4/20 0.36
ULK1 O75385 1/20 0.36
KDM4E B2RXH2 1/20 0.36
YTHDC1 Q96MU7 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
NTRK1 P04629 2/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
ITK Q08881 1/20 0.34
JAK1 P23458 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GSK3A P49840 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 0.85 GSK3B (0.41) GSK3BMAT2AAXLJAK2ULK1
SCHEMBL4985168 0.81 CDK2 (0.49) GSK3BKDM4ECYP1A2
SCHEMBL16241349 0.80 JAK2 (0.50) GSK3BJAK2NTRK1ITKGSK3A
SCHEMBL16241491 0.79 GSK3B (0.52) GSK3BITKGSK3A
SCHEMBL4734444 0.78 CCNC (0.38) GSK3BMAT2AKDM4EABL1BCR
SCHEMBL4783573 0.76 GSK3B (0.44) GSK3BAXLJAK2KDM4ENTRK1
SCHEMBL2468351 0.73 YTHDC1 (0.65) GSK3BJAK2ULK1YTHDC1NTRK1
SCHEMBL4988371 0.70 AURKA (0.49) GSK3B
SCHEMBL16910325 0.70 CDC7 (0.48) GSK3BAXLULK1KDM4EYTHDC1
SCHEMBL12193634 0.68 KDM4E (0.53) GSK3BJAK2ULK1KDM4EYTHDC1

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
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

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 2436/4885MAT2A 1448/4885AXL 1060/4885

“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.