SCHEMBL4765711

SCHEMBL4765711

CCN(CC)CCOc1ccc(N=C(N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.65
ADRA2A P08913 6/20 0.63
EBP Q15125 3/20 0.56
SIGMAR1 Q99720 3/20 0.56
PRSS1 P07477 1/20 0.53
ACR P10323 1/20 0.53
HTT P42858 3/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
LTA4H P09960 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL27663831 0.82 FURIN (0.76) FURINADRA2APRSS1ACRLTA4H
SCHEMBL9706125 0.81 EBP (0.72) ADRA2AEBPSIGMAR1HTTCYP2D6
SCHEMBL27663840 0.79 FURIN (0.77) FURINADRA2APRSS1ACRCYP1A2
SCHEMBL13184915 0.79 EBP (0.57) ADRA2AEBPSIGMAR1HTTCYP2D6
SCHEMBL4099965 0.78 ADRA2A (1.00) FURINADRA2APRSS1ACRHTR3E
SCHEMBL27663838 0.77 FURIN (0.73) FURINADRA2APRSS1ACRHTR3E
SCHEMBL15976806 0.76 EBP (0.62) ADRA2AEBPSIGMAR1HTTCYP2D6
SCHEMBL4693255 0.76 ESR1 (0.70) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL374223 0.76 EBP (0.62) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL6812378 0.76 EBP (0.67) ADRA2AEBPSIGMAR1HTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423388-B1 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-7078410-B2 2-arylamino-pyrimidines for the treatment of GSK3-related disorders ASTRAZENECA AB (SE) 2006-07-18 US disclosed
US-6855719-B1 Imidazo[1,2-A]pyridine and pyrazolo[2,3-A]pyridine derivatives ASTRAZENECA AB (SE) 2005-02-15 US disclosed
US-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders ASTRAZENECA AB (SE) 2004-06-03 US disclosed
EP-1423388-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS AstraZeneca AB (SE) 2004-06-02 EP disclosed
EP-1214318-B1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-08 EP disclosed
WO-2002066480-A2 2-ARYLAMINO-PYRIMIDINES FOR THE TREATMENT OF GSK3-RELATED DISORDERS ASTRAZENECA AB (SE) 2002-08-29 WO disclosed
EP-1214318-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001014375-A1 IMIDAZO[1,2-A]PYRIDINE AND PYRAZOLO[2,3-A]PYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-01 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-20040106574-A1 2-Arylamino-pyrimidines for the treatment of gsk3-related disorders GSK3A, GSK3B, CKS2 FURIN 4631/4885ADRA2A 3472/4885EBP 1698/4885

“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.