SCHEMBL4883868

SCHEMBL4883868

Nc1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 3/20 0.61
PRKAB2 O43741 2/20 0.61
PRKAG1 P54619 2/20 0.61
PRKAA1 Q13131 2/20 0.61
PRKAG3 Q9UGI9 2/20 0.61
PRKAG2 Q9UGJ0 2/20 0.61
PRKAB1 Q9Y478 2/20 0.61
SLC6A12 P48065 3/20 0.57
SIGMAR1 Q99720 5/20 0.57
DRD4 P21917 2/20 0.56
KCNH2 Q12809 1/20 0.56
SLC6A13 Q9NSD5 1/20 0.56
TMEM97 Q5BJF2 2/20 0.56
MCHR1 Q99705 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL4889803 0.85 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4889804 0.82 MAPKAPK2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4885734 0.80 MAPKAPK2 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL19899748 0.79 MAPK14 (0.49)
SCHEMBL4882572 0.79 SLC6A12 (0.64) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3543086 0.78 SMYD3 (0.46)
SCHEMBL25201244 0.78 PRKAA2 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14270046 0.78 MAPKAPK2 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4890455 0.78 MAPKAPK2 (0.60) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL25205253 0.78 PRKAA2 (0.53) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US disclosed
EP-1761526-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2005118579-A2 THIAZOLE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2005-12-15 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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 PRKAA2 3998/4885PRKAB2 3496/4885PRKAG1 3012/4885

“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.