SCHEMBL4783789

SCHEMBL4783789

CS(=O)(=O)C1CNCCN1c1n[nH]c2ccc(N)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
GSK3B P49841 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
ULK1 O75385 2/20 0.35
PRKD3 O94806 3/20 0.33
JAK2 O60674 3/20 0.33
ROCK1 Q13464 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
PRKCD Q05655 2/20 0.33
CHEK1 O14757 1/20 0.33
CDK8 P49336 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
DAPK3 O43293 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
SCHEMBL4783386 0.83 MAPT (0.41) HTR2ACNR2CDK2CSNK2A1
SCHEMBL4783785 0.72 CNR1 (0.53) AXLGSK3BCNR1CNR2
SCHEMBL4225789 0.67 MAPK1 (0.50) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL4785792 0.67 JAK2 (0.54) AXLGSK3BCNR1CNR2JAK2
SCHEMBL28059066 0.65 ALDH1A1 (0.41) HTR2AHTR2CHTR2BPRKD3PRKCD
SCHEMBL5506261 0.64 ADRB1 (0.44) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL5509224 0.64 ADRB1 (0.39) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL761105 0.64 MAPK1 (0.54) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL28070944 0.64 PLD1 (0.48) HTR2AHTR2CHTR2BCYP2D6MEN1
SCHEMBL4782452 0.63 JAK2 (0.50) AXLGSK3BCNR1CNR2JAK2

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 2 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
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 AXL 1060/4885HTR2A 191/4885HTR2C 137/4885

“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.