SCHEMBL3052165

SCHEMBL3052165

COc1cc2c(N3CCC(c4ccnc(C5CC5)n4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 13/20 0.41
HTR1A P08908 1/20 0.37
TSPO P30536 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
HTR3A P46098 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NEK2 P51955 3/20 0.37
PLK1 P53350 1/20 0.37
NEK1 Q96PY6 1/20 0.37
LMNA P02545 2/20 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
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 3/20 0.35
MAPT P10636 1/20 0.34
PAX8 Q06710 1/20 0.34

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
SCHEMBL3062890 0.89 NEK2 (0.38) NTSR1NEK2PLK1NEK1LMNA
SCHEMBL3051161 0.88 LMNA (0.39) NTSR1NEK2PLK1NEK1LMNA
SCHEMBL3052052 0.87 PDE10A (0.47) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3055190 0.87 NTSR1 (0.41) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3049822 0.84 NEK2 (0.36) HTR1ANEK2PLK1NEK1LMNA
SCHEMBL3055858 0.84 GSK3B (0.37) NTSR1NEK2PLK1NEK1LMNA
SCHEMBL3052033 0.83 PDE10A (0.41) NTSR1NEK2PLK1NEK1LMNA
SCHEMBL3049868 0.81 LMNA (0.42) NTSR1NEK2LMNAALDH1A1KMT2A
SCHEMBL3049951 0.80 NTSR1 (0.39) NTSR1HTR1ATSPOHTR7HRH1
SCHEMBL3047040 0.79 PDE10A (0.39) NTSR1HTR1ATSPOHTR7HRH1

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 NTSR1 2789/4885HTR1A 547/4885TSPO 2358/4885

“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.