SCHEMBL3494657

SCHEMBL3494657

O=c1[nH]c2cc(C(F)(F)F)ccc2n2ccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.57
GRIA1 P42261 2/20 0.57
GRIA2 P42262 2/20 0.57
GRIA3 P42263 2/20 0.57
GRIA4 P48058 2/20 0.57
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
PDE5A O76074 3/20 0.50
PDE9A O76083 3/20 0.50
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE8A O60658 1/20 0.50
PDE8B O95263 1/20 0.50
PDE6A P16499 1/20 0.50
PDE6G P18545 1/20 0.50

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
SCHEMBL3494827 0.81 PARP1 (0.54) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3495517 0.79 GRIA1 (0.61) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3496989 0.76 GRIA1 (0.58) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9415614 0.76 TP53 (0.62) PARP1PDE5APDE9ANFKB1MEN1
SCHEMBL30928050 0.76 PARP1 (0.71) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL31377420 0.76 PARP1 (0.57) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL3493681 0.76 GRIA1 (0.68) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL30273078 0.75 PDE2A (0.69) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2818529 0.75 PDE2A (0.69) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL29893296 0.75 PARP1 (0.56) PARP1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 US disclosed
EP-2155750-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES Mutabilis SA (FR) 2010-02-24 EP disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 WO disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 EP disclosed
EP-1972629-A1 New imidazolo-heteroaryl derivatives with antibacterial properties Mutabilis SA (FR) 2008-09-24 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-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DLAT, DLST, DNTT PARP1 3790/4885GRIA1 1776/4885GRIA2 2636/4885

“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.