SCHEMBL3055267

SCHEMBL3055267

COc1cc2c(N3CCC(C(O)c4nccn4C)CC3)nncc2c(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
FGB P02675 1/20 0.36
ALOX15 P16050 1/20 0.36
TNNI3 P19429 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
TNNT2 P45379 1/20 0.36
CASP7 P55210 1/20 0.36
TNNC1 P63316 1/20 0.36
KMT2A Q03164 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PRKDC P78527 1/20 0.36
NEK2 P51955 5/20 0.34
PLK1 P53350 1/20 0.34
NEK1 Q96PY6 1/20 0.34
PDE10A Q9Y233 8/20 0.34
PDE5A O76074 1/20 0.32

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
SCHEMBL3056878 0.87 PDE10A (0.43) MAPK1MEN1FGBALOX15TNNI3
SCHEMBL3056098 0.81 PDE10A (0.38) MEN1ALOX15KMT2AHSD17B10NEK2
SCHEMBL3051576 0.81 STAT3 (0.43) KMT2ANEK2PLK1NEK1PDE10A
SCHEMBL3056922 0.80 PDE10A (0.37) PDE10APDE3A
SCHEMBL3055190 0.75 NTSR1 (0.41) KMT2ANEK2PLK1NEK1PDE10A
SCHEMBL3047177 0.73 GAA (0.37) KMT2AALDH1A1
SCHEMBL3049868 0.73 LMNA (0.42) MAPK1KMT2ANEK2PDE10APDE3A
SCHEMBL3051124 0.73 NTSR1 (0.42) MAPK1MEN1KMT2APDE10APDE3A
SCHEMBL3056933 0.72 ENPP1 (0.35) MAPK1KMT2ANEK2PDE10APDE5A
SCHEMBL3042364 0.72 PDE10A (0.36) MEN1KMT2ANEK2PLK1NEK1

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 MAPK1 1537/4885MEN1 3233/4885FGB 4748/4885

“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.