SCHEMBL3049176

SCHEMBL3049176

COc1cc2c(N3CCC(Cc4cnccn4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.37
CHRM4 P08173 1/20 0.36
HTR1A P08908 2/20 0.35
PDE10A Q9Y233 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAOA P21397 2/20 0.34
NEK2 P51955 3/20 0.34
PLK1 P53350 1/20 0.34
NEK1 Q96PY6 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
ABL2 P42684 1/20 0.34
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
SCHEMBL3062868 0.86 PDE10A (0.43) ENPP1CHRM4HTR1APDE10APDE3B
SCHEMBL3051124 0.85 NTSR1 (0.42) ENPP1HTR1APDE10APDE3BPDE3A
SCHEMBL3059837 0.83 ENPP1 (0.36) ENPP1PDE10ANEK2PLK1NEK1
SCHEMBL3055184 0.83 ENPP1 (0.39) ENPP1
SCHEMBL3059838 0.81 MEN1 (0.50)
SCHEMBL3061987 0.80 ACHE (0.41)
SCHEMBL3059442 0.79 STAT3 (0.44) ENPP1
SCHEMBL3056812 0.78 EHMT2 (0.40) ENPP1HTR1A
SCHEMBL3049868 0.77 LMNA (0.42) PDE10APDE3BPDE3AMAOANEK2
SCHEMBL3055190 0.77 NTSR1 (0.41) HTR1APDE10APDE3BPDE3ANEK2

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 ENPP1 99/4885CHRM4 931/4885HTR1A 547/4885

“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.