SCHEMBL4944606

SCHEMBL4944606

COc1ccc(-c2nnc(SC(C)C3=CNN(c4ccnc(C)c4)O3)n2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DYRK1A Q13627 1/20 0.37
LMNA P02545 5/20 0.36
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4946170 0.89 MEN1 (0.36) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4946212 0.89 ALDH1A1 (0.42) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4944242 0.83 NPC1 (0.33) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1544124 0.74 DYRK1A (0.44) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL22494221 0.64 RAB9A (0.62) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL10915111 0.63 ALDH1A1 (0.66) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL1544637 0.63 TSHR (0.46) MAPTALDH1A1MEN1KMT2ADYRK1A
SCHEMBL4944614 0.63 KDM4E (0.34) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL4945218 0.62 ALDH1A1 (0.33) RAB9AALDH1A1KMT2ALMNATP53
SCHEMBL4944624 0.62 RAB9A (0.53) RAB9AMAPTALDH1A1MEN1KMT2A

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 RAB9A 1926/4885NPC1 554/4885MAPT 780/4885

“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.