SCHEMBL3056928

SCHEMBL3056928

COc1cc2c(N3CCC(c4cccc(O)c4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.42
DRD2 P14416 4/20 0.41
MTOR P42345 1/20 0.39
DRD3 P35462 3/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
QDPR P09417 1/20 0.37
HTR1A P08908 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTSR1 P30989 1/20 0.36
NEK2 P51955 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
SCHEMBL3062919 0.89 DRD2 (0.45) PDE10ADRD2LMNAKMT2AHTR1A
SCHEMBL3057498 0.86 MLYCD (0.44) PDE10AMTORALDH1A1L3MBTL1NTSR1
SCHEMBL3053047 0.86 PDE10A (0.57) PDE10ADRD2MTORDRD3LMNA
SCHEMBL3049868 0.84 LMNA (0.42) PDE10AMTORLMNAKMT2AALDH1A1
SCHEMBL3042364 0.81 PDE10A (0.36) PDE10ALMNAKMT2ANTSR1NEK2
SCHEMBL3046932 0.80 LMNA (0.41) PDE10ALMNAALDH1A1L3MBTL1NEK2
SCHEMBL3055190 0.80 NTSR1 (0.41) PDE10ALMNAKMT2AHTR1AALDH1A1
SCHEMBL3049941 0.80 NTSR1 (0.45) PDE10ALMNAKMT2AALDH1A1NTSR1
SCHEMBL3057490 0.79 NTSR1 (0.45) PDE10ALMNAKMT2ANTSR1
SCHEMBL3052033 0.79 PDE10A (0.41) PDE10ADRD2DRD3LMNAKMT2A

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 6/4885DRD2 247/4885MTOR 2661/4885

“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.