SCHEMBL5432191

SCHEMBL5432191

Cn1c(-c2ccncc2)nnc1N1CCOCC1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
MDM2 Q00987 8/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BCHE P06276 1/20 0.37
TP53 P04637 2/20 0.36
GRM5 P41594 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL5406644 0.92 NPC1 (0.39) MDM2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5432422 0.91 GRM2 (0.40) KCNH2MDM2NPC1RAB9ASMN1; SMN2
SCHEMBL5397690 0.89 MDM2 (0.40) MDM2NPC1RAB9ASMN1; SMN2BCHE
SCHEMBL4347443 0.88 NPC1 (0.38) MDM2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4347449 0.88 NPC1 (0.38) MDM2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5433709 0.88 KCNH2 (0.42) KCNH2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5434436 0.88 NPC1 (0.37) MDM2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5450497 0.87 KCNH2 (0.42) KCNH2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5399601 0.86 CXCR1 (0.39) KCNH2MDM2NPC1RAB9ASMN1; SMN2
SCHEMBL5428088 0.85 KDR (0.38) KCNH2MDM2NPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523181-A 2007-08-16 JP claimed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP claimed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US claimed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO claimed
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1716143-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-02-02 US disclosed
WO-2005080386-A1 POLYHETEROCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (2 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-20060025414-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 KCNH2 359/4885MDM2 4268/4885NPC1 2424/4885
US-20070185100-A1 Poly-heterocyclic compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRM1, GRM4 KCNH2 363/4885MDM2 4376/4885NPC1 2449/4885

“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.