SCHEMBL1543588

SCHEMBL1543588

CCn1c(SCc2noc(-c3cccc(Cl)c3)n2)nnc1-c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KMT2A Q03164 5/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
HTT P42858 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
CYP2D6 P10635 1/20 0.39
TP53 P04637 2/20 0.37
ALOX15 P16050 1/20 0.37
THRB P10828 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
SCHEMBL1544248 0.90 TSHR (0.52) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1544342 0.90 TSHR (0.54) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1544145 0.88 TSHR (0.52) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1544449 0.88 TSHR (0.49) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1544099 0.88 TSHR (0.59) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1544519 0.86 TSHR (0.55) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1543675 0.85 TSHR (0.54) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1543990 0.85 TSHR (0.56) TSHRKMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1544688 0.84 KMT2A (0.54) TSHRKMT2AATMALDH1A1SMN1; SMN2
SCHEMBL1543761 0.84 CYP3A4 (0.55) TSHRKMT2AATMALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2005077345-A1 COMPOUNDS FOR THE TREATMENT OF GASTRO-ESOPHAGEAL REFLUX DISEASE ASTRAZENECA AB (SE) 2005-08-25 WO claimed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP claimed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US claimed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO claimed
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
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
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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 (8 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-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 TSHR 4088/4885KMT2A 4484/4885ATM 4306/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TSHR 895/4885KMT2A 2030/4885ATM 4529/4885
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 TSHR 769/4885KMT2A 1955/4885ATM 3340/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 TSHR 847/4885KMT2A 1915/4885ATM 4477/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 TSHR 895/4885KMT2A 2030/4885ATM 4529/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TSHR 895/4885KMT2A 2030/4885ATM 4529/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TSHR 895/4885KMT2A 2030/4885ATM 4529/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 TSHR 895/4885KMT2A 2030/4885ATM 4529/4885

“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.