SCHEMBL3053008

SCHEMBL3053008

COc1cc2c(N3CCCC(C(=O)c4cccnc4)C3)nncc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
IGF1R P08069 4/20 0.40
ALK Q9UM73 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
LMNA P02545 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 0.91 ALDH1A1 (0.42) ALDH1A1KMT2AGAAMAPTIGF1R
SCHEMBL3049174 0.88 KLK7 (0.50) KLK7RXFP1ALDH1A1KMT2AGAA
SCHEMBL3055968 0.84 MEN1 (0.47) ALDH1A1KMT2AIGF1RALKMEN1
SCHEMBL3047177 0.81 GAA (0.37) ALDH1A1KMT2AGAAIGF1RALK
SCHEMBL3049952 0.80 NEK2 (0.44) ALDH1A1KMT2AMAPTCYP1A2LMNA
SCHEMBL3062173 0.78 PDE10A (0.54) ALDH1A1KMT2AGAAMAPTKDM4E
SCHEMBL3056801 0.75 PDE3A (0.43)
SCHEMBL3057226 0.75 PDE3A (0.58) ALDH1A1HTT
SCHEMBL3051960 0.74 PDE10A (0.51)
SCHEMBL3058176 0.74 PROKR1 (0.50) KMT2AMEN1

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 KLK7 2327/4885RXFP1 3216/4885ALDH1A1 997/4885

“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.