SCHEMBL16243449

SCHEMBL16243449

Cc1ccnc(Nc2nc3c(s2)CCN(CCCN2CCOCC2)c2n[nH]cc2-3)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.45
GRM8 O00222 1/20 0.41
TLR9 Q9NR96 6/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALK Q9UM73 1/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
FLT3 P36888 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 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
SCHEMBL15303431 0.86 GRM4 (0.49) GRM4GRM8RAB9ANPC1PKM
SCHEMBL15303818 0.85 GRM4 (0.52) GRM4GRM8RAB9ANPC1PKM
SCHEMBL16242789 0.85 TLR9 (0.35) GRM4TLR9PKMALKMAPK13
Hydrochloric Acid SCHEMBL16243476 0.83 TLR9 (0.34) GRM4TLR9PKMALKMAPK13
SCHEMBL366549 0.82 GRM4 (0.54) GRM4GRM8RAB9ANPC1PKM
SCHEMBL15303133 0.82 GRM4 (0.49) GRM4GRM8RAB9ANPC1PKM
SCHEMBL16242744 0.82 GRM4 (0.49) GRM4GRM8RAB9ANPC1PKM
SCHEMBL367416 0.80 GRM4 (0.46) GRM4GRM8RAB9ANPC1PKM
SCHEMBL16243084 0.80 GRM4 (0.35) GRM4TLR9CDK1RAB9AALK
SCHEMBL15303223 0.80 GRM4 (0.45) GRM4GRM8RAB9ANPC1PKM

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-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 US claimed
EP-2804870-B1 2-AMINO-4,5,6,8-TETRAHYDROPYRAZOLO[3,4-b]THIAZOLO [4,5-d]AZEPINE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2016-11-30 EP disclosed
US-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA S.A. (CH) 2014-11-27 US 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-20140349994-A1 Novel 2-Amino-4,5,6,8-Tetrahydropyrazolo[3,4-b]Thiazolo [4,5-d]Azepine Derivatives and Their Use as Allosteric Modulators of Metabotropic Glutamate Receptors GRM4, GRM1, GRM5 GRM4 1/4885GRM8 16/4885TLR9 383/4885

“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.