SCHEMBL4946170

SCHEMBL4946170

Cc1cc(N2NC=C(C(C)Sc3nnc(-c4ccc(F)cc4)n3C)O2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK14 Q16539 5/20 0.34
MAPT P10636 3/20 0.34
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32
DGAT1 O75907 5/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4944242 0.90 NPC1 (0.33) KMT2AMAPTNPC1HPGDCYP2C19
SCHEMBL4944606 0.89 RAB9A (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4946212 0.78 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1544707 0.73 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4944624 0.65 RAB9A (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4944614 0.64 KDM4E (0.34) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4945218 0.64 ALDH1A1 (0.33) KMT2AALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL1543704 0.64 KCNH2 (0.41) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL4945225 0.64 KMT2A (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL4943990 0.62 CYP3A4 (0.33)

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 MEN1 3387/4885KMT2A 2030/4885ALDH1A1 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.