SCHEMBL4946188

SCHEMBL4946188

CCn1c(-c2ccncc2)nnc1C(S)N1C=C(c2ccnc(C)c2)ON1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTK2 Q05397 1/20 0.31
HDAC2 Q92769 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
SCHEMBL4941963 0.87 KDM4E (0.35) KMT2AALDH1A1TP53TSHRKDM4E
SCHEMBL4940231 0.85 S1PR1 (0.31)
SCHEMBL4946016 0.78 KMT2A (0.34) KMT2AATMTSHRLMNA
SCHEMBL4946194 0.74 HDAC2 (0.49) KMT2AATMALDH1A1TP53TSHR
SCHEMBL1544197 0.73 KCNH2 (0.40) KMT2AATMALDH1A1TP53CYP3A4
SCHEMBL1544511 0.73 TLR8 (0.40) KMT2AATMALDH1A1TP53TSHR
SCHEMBL4945218 0.69 ALDH1A1 (0.33) KMT2AATMALDH1A1TP53TSHR
SCHEMBL1544497 0.67 S1PR1 (0.39) KMT2AALDH1A1TP53CYP3A4LMNA
SCHEMBL4941807 0.64 ALDH1A1 (0.36) KMT2AALDH1A1TP53TSHRKDM4E
SCHEMBL4939468 0.64 TSHR (0.47) KMT2AATMALDH1A1TP53TSHR

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 1 patent. 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

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 KMT2A 2030/4885ATM 4529/4885ALDH1A1 3875/4885

“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.