SCHEMBL3744443

SCHEMBL3744443

CCN(CC)CCN(C)c1nc2c(C(N)=O)c[c]cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
RAD52 P43351 3/20 0.34
PIM1 P11309 2/20 0.33
GSK3A P49840 2/20 0.33
DYRK1A Q13627 2/20 0.33
PIM3 Q86V86 2/20 0.33
AURKB Q96GD4 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
CHEK1 O14757 1/20 0.33
MAP4K4 O95819 1/20 0.33
LCK P06239 1/20 0.33
CSF1R P07333 1/20 0.33
PHKG2 P15735 1/20 0.33
MARK3 P27448 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
CLK2 P49760 1/20 0.33
ITK Q08881 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
SCHEMBL3748594 0.93 PIM1 (0.35) THRBKMT2AMEN1RAD52PIM1
SCHEMBL3752317 0.89 HTR2C (0.39) THRBKMT2AMEN1RAD52LMNA
SCHEMBL4643599 0.85 MAPT (0.37) THRBKMT2AMEN1RAD52LMNA
SCHEMBL3753729 0.80 LMNA (0.36) PIM1PIM3AURKBFLT3PARP1
SCHEMBL3759067 0.79 LMNA (0.38) PIM1PIM3AURKBFLT3PARP1
SCHEMBL3750058 0.79 PARP14 (0.34) PARP1
SCHEMBL3748706 0.76 ALDH1A1 (0.36) THRBKMT2ALMNAMAPK1
SCHEMBL3749075 0.73 PARP1 (0.34) IRAK4PARP1
SCHEMBL3756206 0.73 PARP1 (0.36) IRAK4PARP1
SCHEMBL3750551 0.73 PARP1 (0.34) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R THRB 105/4885KMT2A 1012/4885MEN1 550/4885

“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.