SCHEMBL4945218

SCHEMBL4945218

CCn1c(-c2ccncc2)nnc1C(S)C1=CNN(c2ccnc(C)c2)O1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4943990 0.83 CYP3A4 (0.33) CYP3A4
SCHEMBL4945225 0.76 KMT2A (0.50) ALDH1A1KMT2ATDP1ATMTP53
SCHEMBL4944614 0.74 KDM4E (0.34) ALDH1A1KMT2ATP53TSHRRAB9A
SCHEMBL1544511 0.73 TLR8 (0.40) ALDH1A1KMT2AATMTP53TSHR
SCHEMBL1544197 0.72 KCNH2 (0.40) ALDH1A1KMT2AATMTP53CYP3A4
SCHEMBL4946212 0.71 ALDH1A1 (0.42) ALDH1A1KMT2ATSHRCYP3A4RAB9A
SCHEMBL4946188 0.69 KMT2A (0.33) ALDH1A1KMT2ATDP1ATMTP53
SCHEMBL4294154 0.64 KMT2A (0.49) ALDH1A1KMT2ATDP1ATMTP53
SCHEMBL4943994 0.64 CYP3A4 (0.49) ALDH1A1KMT2ATDP1ATMTSHR
SCHEMBL4946170 0.64 MEN1 (0.36) ALDH1A1KMT2ARAB9ASMN1; SMN2LMNA

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 ALDH1A1 3875/4885KMT2A 2030/4885TDP1 3525/4885

“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.