SCHEMBL3055968

SCHEMBL3055968

COc1cc2c(N3CCCC(C(=O)c4ccccn4)C3)nncc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 6/20 0.43
ALK Q9UM73 7/20 0.41
IGF1R P08069 4/20 0.41
POLB P06746 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3055212 0.88 PDE10A (0.49) MEN1KMT2ACYP3A4CYP2C9ALDH1A1
SCHEMBL3057873 0.88 ALDH1A1 (0.42) MEN1KMT2AALDH1A1ALKIGF1R
SCHEMBL3053008 0.84 KLK7 (0.47) MEN1KMT2AALDH1A1ALKIGF1R
SCHEMBL3047177 0.83 GAA (0.37) KMT2AALDH1A1ALKIGF1RLMNA
SCHEMBL3056948 0.79 PDE3A (0.41) MEN1KMT2AALDH1A1POLB
SCHEMBL3057226 0.77 PDE3A (0.58) ALDH1A1
SCHEMBL3042952 0.77 PRKDC (0.42)
SCHEMBL3051960 0.76 PDE10A (0.51)
SCHEMBL3049952 0.76 NEK2 (0.44) KMT2AALDH1A1LMNA
SCHEMBL3058176 0.76 PROKR1 (0.50) MEN1KMT2A

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 MEN1 3233/4885KMT2A 1399/4885CYP3A4 794/4885

“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.