SCHEMBL3047040

SCHEMBL3047040

COc1cc2c(N3CCC(c4nnc(C5CC5)o4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.39
NTSR1 P30989 2/20 0.36
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
NEK2 P51955 3/20 0.35
PLK1 P53350 1/20 0.35
NEK1 Q96PY6 1/20 0.35
ENPP1 P22413 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 2/20 0.33
TP53 P04637 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR1A P08908 1/20 0.33
TSPO P30536 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL3042342 0.89 NTSR1 (0.35) PDE10ANTSR1TLR9TLR8TLR7
SCHEMBL3055966 0.89 PDE3A (0.41) PDE10ATLR9TLR8TLR7LMNA
SCHEMBL3055493 0.87 TP53 (0.38) PDE10ANTSR1TLR9TLR8TLR7
SCHEMBL3049951 0.86 NTSR1 (0.39) PDE10ANTSR1LMNAKMT2ANEK2
SCHEMBL3049677 0.84 HTT (0.38) PDE10ANTSR1TLR9TLR8TLR7
SCHEMBL3062473 0.84 PDE10A (0.49) PDE10ANTSR1TLR9TLR8TLR7
SCHEMBL3052060 0.83 LMNA (0.47) NTSR1LMNATP53
SCHEMBL3049868 0.82 LMNA (0.42) PDE10ANTSR1TLR8TLR7LMNA
SCHEMBL3055190 0.82 NTSR1 (0.41) PDE10ANTSR1LMNAKMT2ANEK2
SCHEMBL3057287 0.82 HTT (0.39) PDE10ANTSR1TLR9TLR8TLR7

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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 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-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PDE12, PDE5A, PDE2A PDE10A 6/4885NTSR1 2789/4885TLR9 3763/4885

“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.