SCHEMBL3056022

SCHEMBL3056022

COc1cc2cnnc(N3CCC(c4ccn[nH]4)CC3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.49
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
NTSR1 P30989 9/20 0.40
MAP4K4 O95819 2/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HTR1A P08908 1/20 0.36
TSPO P30536 1/20 0.36
HTR7 P34969 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
HTR3A P46098 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SOS1 Q07889 2/20 0.35

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
SCHEMBL3062904 0.86 PDE10A (0.37) PDE10ALMNAKMT2ANTSR1MAP4K4
SCHEMBL3059540 0.83 PDE10A (0.57) PDE10ALMNAKMT2ANTSR1HTR1A
SCHEMBL3059781 0.81 PDE10A (0.52) PDE10ALMNAKMT2ANTSR1HTR1A
SCHEMBL3042943 0.80 PDE10A (0.53) PDE10ALMNAKMT2ANTSR1HTR1A
SCHEMBL11307305 0.79 PDE10A (0.59) PDE10ALMNAKMT2ANTSR1ALDH1A1
SCHEMBL3052286 0.79 PDE10A (0.48) PDE10ALMNAKMT2ANTSR1ALDH1A1
SCHEMBL3062253 0.79 PDE10A (0.48) PDE10ALMNAKMT2ANTSR1MAP4K4
SCHEMBL3062473 0.79 PDE10A (0.49) PDE10ALMNAKMT2ANTSR1HTR1A
SCHEMBL3059755 0.78 PDE10A (0.54) PDE10ALMNAKMT2ANTSR1HTR1A
SCHEMBL3052052 0.78 PDE10A (0.47) PDE10ALMNAKMT2ANTSR1HTR1A

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 6/4885LMNA 4217/4885KMT2A 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.