SCHEMBL4330331

SCHEMBL4330331

c1nnc(-c2cscn2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 8/20 0.41
METAP2 P50579 5/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
FKBP1A P62942 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4A O75164 2/20 0.36
KDM4B O94953 2/20 0.36
KDM5C P41229 2/20 0.36

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
SCHEMBL6179553 0.71 METAP1 (0.40) METAP1METAP2TSHRKDM4ENPC1
SCHEMBL7964249 0.69 TSHR (0.50) METAP1METAP2TSHRKDM4ENPC1
SCHEMBL12131262 0.69
SCHEMBL21547828 0.65 GAA (0.41) TSHRKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4324773 0.64 CYP2A6 (0.39) CYP3A4CYP2C19IDO1TDO2ALDH1A1
SCHEMBL12075543 0.64 MEN1 (0.36) KDM4ETP53RAB9ASMN1; SMN2TDP1
SCHEMBL15748053 0.63
SCHEMBL31301220 0.63 IDO1 (0.35) METAP1METAP2TSHRKDM4ENPC1
SCHEMBL21366194 0.62 COMT (0.36)
SCHEMBL6866757 0.62 METAP1 (0.40) METAP1METAP2TSHRKDM4ENPC1

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
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 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 (7 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 METAP1 2138/4885METAP2 1465/4885TSHR 895/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 METAP1 3168/4885METAP2 2957/4885TSHR 769/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 METAP1 2312/4885METAP2 1643/4885TSHR 847/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 METAP1 2138/4885METAP2 1465/4885TSHR 895/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 METAP1 2138/4885METAP2 1465/4885TSHR 895/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 METAP1 2138/4885METAP2 1465/4885TSHR 895/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 METAP1 2138/4885METAP2 1465/4885TSHR 895/4885

“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.