SCHEMBL3390634

SCHEMBL3390634

c1ccc(-n2ncnn2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PLD1 Q13393 1/20 0.40
POLB P06746 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
ALKBH2 Q6NS38 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GRM5 P41594 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1461902 0.80 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL17104893 0.76 RAB9A (0.55) RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL29022910 0.71 CYP1A2 (0.42) SMN1; SMN2POLBGRM5ALDH1A1HTT
SCHEMBL12075261 0.70 POLB (0.50) RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL2211763 0.69 KDM4E (0.46) RAB9ASMN1; SMN2POLBALDH1A1HTT
SCHEMBL31436278 0.68 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL5189603 0.67 KDM4E (0.44) RAB9ASMN1; SMN2POLBALDH1A1HTT
SCHEMBL11117869 0.67 POLB (0.47) RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1
SCHEMBL16114651 0.67 NOS3 (0.39) RAB9AALDH1A1HTTKDM4E
SCHEMBL16114653 0.67 P2RX7 (0.37) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664396-B2 Photoluminescent metal complexes for protein staining BIO-RAD LABORATORIES, INC. (US) 2014-03-04 US disclosed
US-8664396-B2 Photoluminescent metal complexes for protein staining BIO-RAD LABORATORIES, INC. (US) 2014-03-04 US disclosed
EP-2217608-B1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO RAD LABORATORIES (US) 2012-09-05 EP disclosed
EP-1809620-B1 NOVEL TETRAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-12-29 EP disclosed
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 US disclosed
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 US disclosed
WO-2010065514-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 WO disclosed
WO-2009067603-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO-RAD LABORATORIES, INC. (US) 2009-05-28 WO disclosed
US-20090131640-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO-RAD LABORATORIES, INC. (US) 2009-05-21 US disclosed
US-20090131640-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING BIO-RAD LABORATORIES, INC. (US) 2009-05-21 US disclosed
US-20070299110-A1 Novel Tetrazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate ADDEX PHARMACEUTICALS SA (CH) 2007-12-27 US disclosed
EP-1809620-A1 NOVEL TETRAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2007-07-25 EP disclosed
WO-2006048771-A1 NOVEL TETRAZOLE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2006-05-11 WO disclosed
WO-2003027095-A1 SUBSTITUTED 3-PYRIDYL TETRAZOLES AS STEROID C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (3 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-20070299110-A1 Novel Tetrazole Derivatives as Positive Allosteric Modulators of Metabotropic Glutamate GRM5, GRIK5, GRM1 RAB9A 1426/4885SMN1; SMN2 2141/4885GRIN2D 26/4885
US-20090131640-A1 PHOTOLUMINESCENT METAL COMPLEXES FOR PROTEIN STAINING NR2E3, NR2C2, ORC3 RAB9A 4244/4885SMN1; SMN2 4400/4885GRIN2D 245/4885
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION CAD, NCLN, CCL5 RAB9A 4443/4885SMN1; SMN2 3685/4885GRIN2D 2220/4885

“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.