SCHEMBL3051576

SCHEMBL3051576

COc1cc2c(N3CCC(C(O)c4ccccc4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
PDE10A Q9Y233 2/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
AURKA O14965 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
NEK1 Q96PY6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SOS1 Q07889 1/20 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
SCHEMBL3056922 0.91 PDE10A (0.37) STAT3PDE10ALMNACYP1A2
SCHEMBL3056098 0.87 PDE10A (0.38) PDE10ALMNAKMT2AACHEBACE1
SCHEMBL3059676 0.86 PDE10A (0.55) STAT3PDE10ALMNAKMT2ACARM1
SCHEMBL3055267 0.81 MAPK1 (0.36) PDE10AKMT2ANEK2PLK1NEK1
SCHEMBL3053175 0.81 LMNA (0.44) PDE10ALMNAKMT2A
SCHEMBL3049952 0.80 NEK2 (0.44) STAT3PDE10ALMNAKMT2ANEK2
SCHEMBL3059838 0.80 MEN1 (0.50) STAT3LMNAKMT2AKDM4E
SCHEMBL3052995 0.79 PDE10A (0.49) PDE10ALMNAKMT2AKIT
SCHEMBL3051966 0.78 KMT2A (0.41) PDE10ALMNAKMT2ACARM1PRMT6
SCHEMBL3049941 0.78 NTSR1 (0.45) PDE10ALMNAKMT2A

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 STAT3 2966/4885PDE10A 6/4885LMNA 4217/4885

“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.