SCHEMBL4945225

SCHEMBL4945225

CCn1c(SCC2=CNN(c3ccnc(C)c3)O2)nnc1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HDAC2 Q92769 3/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
PTK2 Q05397 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HDAC1 Q13547 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4943994 0.84 CYP3A4 (0.49) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL4945218 0.76 ALDH1A1 (0.33) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL4944624 0.76 RAB9A (0.53) KMT2ATSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL1544512 0.73 HPGD (0.57) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL1544200 0.72 CYP3A4 (0.58) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL4946212 0.71 ALDH1A1 (0.42) KMT2ACYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL4946194 0.69 HDAC2 (0.49) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL4215062 0.68 CYP3A4 (0.77) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL1544501 0.66 LMNA (0.55) KMT2AATMCYP3A4TSHRSMN1; SMN2
SCHEMBL4210938 0.66 CYP3A4 (0.74) KMT2AATMCYP3A4TSHRSMN1; 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 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 4529/4885CYP3A4 4080/4885

“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.