SCHEMBL3060684

SCHEMBL3060684

COc1cc2c(N3CCCC(COc4ccccc4)C3)nncc2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 4/20 0.43
KIT P10721 5/20 0.41
HTR1A P08908 2/20 0.39
HTR7 P34969 2/20 0.39
PDE10A Q9Y233 4/20 0.38
PDE3B Q13370 2/20 0.38
PRKDC P78527 1/20 0.38
AURKA O14965 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3056861 0.91 KIT (0.40) PDE3AKITHTR1APDE10APDE3B
SCHEMBL3057198 0.88 CHRNB1 (0.42) PDE3AKITPDE10APDE3BPRKDC
SCHEMBL3049156 0.88 POLB (0.40) PDE3AKITHTR1AHTR7PDE10A
SCHEMBL3055913 0.87 PDE10A (0.52) PDE3AKITHTR1AHTR7PDE10A
SCHEMBL3061087 0.85 CHRNB2 (0.43) PDE3AKITHTR1AHTR7PDE10A
SCHEMBL3055239 0.85 SYK (0.39) PDE3AKITHTR1AHTR7PDE10A
SCHEMBL3060045 0.85 GBA1 (0.46) PDE3APDE10APDE3B
SCHEMBL3056948 0.84 PDE3A (0.41) PDE3AHTR1AHTR7PDE10APDE3B
SCHEMBL3042952 0.84 PRKDC (0.42) PDE3AHTR1AHTR7PDE10APDE3B
SCHEMBL3057226 0.82 PDE3A (0.58) PDE3APDE10APRKDC

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 PDE3A 5/4885KIT 4499/4885HTR1A 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.