SCHEMBL4946016

SCHEMBL4946016

CCn1c(-c2ccncc2)nnc1C(S)N1C=C(c2cc(C#N)ccc2F)ON1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
GRM5 P41594 1/20 0.31
GCGR P47871 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL4947616 0.87 MAPT (0.35) TSHRLMNAGRM5
SCHEMBL4941807 0.85 ALDH1A1 (0.36) KMT2ATSHRGRM5
SCHEMBL4945234 0.84 CDK2 (0.33) CDK2GSK3BCYP11B2CYP11B1GRM5
SCHEMBL4946020 0.78 KMT2A (0.48) KMT2ATSHRLMNAATM
SCHEMBL4946188 0.78 KMT2A (0.33) KMT2ATSHRLMNAATM
SCHEMBL1544223 0.77 KMT2A (0.35) KMT2ACDK2GSK3BTSHRLMNA
SCHEMBL4946807 0.75 MAPT (0.32) KMT2ATSHRLMNA
SCHEMBL4294154 0.71 KMT2A (0.49) KMT2ATSHRLMNAATMCYP11B2
SCHEMBL4945524 0.70 MAPT (0.33) KMT2ATSHRLMNAATM
SCHEMBL27810133 0.67 KCNH2 (0.39) KMT2AGSK3BTSHRLMNAATM

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-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

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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KMT2A 2030/4885CDK2 1376/4885GSK3B 2834/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KMT2A 2030/4885CDK2 1376/4885GSK3B 2834/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KMT2A 2030/4885CDK2 1376/4885GSK3B 2834/4885

“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.