SCHEMBL3046932

SCHEMBL3046932

COc1cc2c(N3CCC(c4ccc(C(N)=O)cc4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
NEK2 P51955 4/20 0.41
PDE5A O76074 2/20 0.40
PDE10A Q9Y233 2/20 0.39
PLK1 P53350 1/20 0.39
NEK1 Q96PY6 1/20 0.39
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
KCNH2 Q12809 1/20 0.37
FYN P06241 1/20 0.37
PARP10 Q53GL7 1/20 0.37
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
C1S P09871 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3057498 0.90 MLYCD (0.44) NEK2PDE5APDE10APLK1NEK1
SCHEMBL3049694 0.86 PDE10A (0.53) LMNANEK2PDE5APDE10AALDH1A1
SCHEMBL3049868 0.85 LMNA (0.42) LMNANEK2PDE10AALDH1A1L3MBTL1
SCHEMBL3056928 0.80 PDE10A (0.42) LMNANEK2PDE10AALDH1A1L3MBTL1
SCHEMBL3042364 0.80 PDE10A (0.36) LMNANEK2PDE10APLK1NEK1
SCHEMBL3062919 0.79 DRD2 (0.45) LMNAPDE10AC1S
SCHEMBL3049952 0.78 NEK2 (0.44) LMNANEK2PDE10APLK1NEK1
SCHEMBL3047040 0.77 PDE10A (0.39) LMNANEK2PDE10APLK1NEK1
SCHEMBL3055190 0.77 NTSR1 (0.41) LMNANEK2PDE10APLK1NEK1
SCHEMBL3046474 0.76 PDE10A (0.53) LMNANEK2PDE5APDE10AC1S

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 6 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
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP claimed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 WO claimed
US-20100222353-A1 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-09-02 US disclosed
EP-1981868-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS Pfizer Products Inc. (US) 2008-10-22 EP disclosed
WO-2007085954-A2 AMINOPHTHALAZINE DERIVATIVE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-08-02 WO 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 LMNA 4217/4885NEK2 1619/4885PDE5A 2/4885

“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.