SCHEMBL3049952

SCHEMBL3049952

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 4/20 0.44
PLK1 P53350 1/20 0.44
NEK1 Q96PY6 1/20 0.44
STAT3 P40763 2/20 0.43
NR2F2 P24468 2/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSD11B1 P28845 2/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
PDE10A Q9Y233 1/20 0.40
MGLL Q99685 1/20 0.39

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
SCHEMBL3057873 0.89 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ALMNA
SCHEMBL3058287 0.86 PDE10A (0.55) NEK2STAT3NR2F2ALDH1A1MAPT
SCHEMBL3053175 0.81 LMNA (0.44) KMT2ALMNAPDE10A
SCHEMBL3057498 0.80 MLYCD (0.44) NEK2PLK1NEK1ALDH1A1NTSR1
SCHEMBL3051576 0.80 STAT3 (0.43) NEK2PLK1NEK1STAT3CYP1A2
SCHEMBL3053008 0.80 KLK7 (0.47) ALDH1A1MAPTCYP1A2KMT2ALMNA
SCHEMBL3059838 0.80 MEN1 (0.50) STAT3ALDH1A1MAPTNTSR1KMT2A
SCHEMBL3052995 0.79 PDE10A (0.49) NTSR1KMT2ALMNAPDE10A
SCHEMBL3046932 0.78 LMNA (0.41) NEK2PLK1NEK1ALDH1A1LMNA
SCHEMBL3051966 0.78 KMT2A (0.41) NTSR1KMT2ALMNAPDE10A

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 NEK2 1619/4885PLK1 2539/4885NEK1 2326/4885

“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.