SCHEMBL4921019

SCHEMBL4921019

COc1cc(F)cc(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.37
▸ ENPP1 P22413 2/20 0.36
▸ SSTR2 P30874 4/20 0.36
▸ BACE1 P56817 4/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 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
SCHEMBL4925336 0.93 HRH4 (0.40) HRH4ENPP1BACE1BRD4ADORA2A
SCHEMBL4921370 0.88 PDE5A (0.37) HRH4ENPP1SSTR2BACE1ADORA2A
SCHEMBL2661488 0.83 GRM2 (0.41) HRH4
SCHEMBL2661938 0.83 GABRG2 (0.38) HRH4ENPP1ENPP3NPC1RAB9A
SCHEMBL2661220 0.82 HRH4 (0.41) HRH4ENPP1SSTR2BACE1LRRK2
SCHEMBL2656734 0.82 BACE1 (0.38) BACE1ADORA2AADORA1MAPKAPK2RAB9A
SCHEMBL2660620 0.81 GABRG2 (0.41) HRH4ENPP1SSTR2MAPKAPK2
SCHEMBL2655674 0.81 GABRA1 (0.46) ADORA2ALRRK2MAPKAPK2RAB9A
SCHEMBL4923143 0.81 ALDH1A1 (0.39) HRH4BACE1ADORA2AADORA1NPC1
SCHEMBL4920722 0.81 KDM4E (0.43) HRH4ENPP1BACE1ADORA2AADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF HRH4 167/4885ENPP1 3350/4885SSTR2 1733/4885

“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.

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