SCHEMBL3058287

SCHEMBL3058287

COc1cc2cnnc(N3CCC(C(=O)c4ccccc4)CC3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.55
NTSR1 P30989 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
STAT3 P40763 2/20 0.44
NR2F2 P24468 2/20 0.44
SOS1 Q07889 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NEK2 P51955 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
HSD11B1 P28845 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL3062173 0.88 PDE10A (0.54) PDE10ANTSR1KMT2ALMNASOS1
SCHEMBL3049952 0.86 NEK2 (0.44) PDE10ANTSR1KMT2ALMNASTAT3
SCHEMBL3056015 0.81 PDE10A (0.56) PDE10AKMT2ALMNASOS1
SCHEMBL11307305 0.80 PDE10A (0.59) PDE10ANTSR1KMT2ALMNAALDH1A1
SCHEMBL3046474 0.79 PDE10A (0.53) PDE10ANTSR1KMT2ALMNASOS1
SCHEMBL3051634 0.79 PDE10A (0.54) PDE10ANTSR1KMT2ALMNA
SCHEMBL3059676 0.79 PDE10A (0.55) PDE10ANTSR1KMT2ALMNASTAT3
SCHEMBL3049174 0.79 KLK7 (0.50) PDE10AKMT2ALMNAALDH1A1MAPT
Oxalic Acid SCHEMBL11306727 0.79 PDE10A (0.49) PDE10AKMT2ALMNASOS1NEK2
Oxalic Acid SCHEMBL11308668 0.79 PDE10A (0.49) PDE10ANTSR1KMT2ALMNAALDH1A1

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 PDE10A 6/4885NTSR1 2789/4885KMT2A 1399/4885

“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.