SCHEMBL3053157

SCHEMBL3053157

COc1cc2c(N3CCCC(c4nc(C(C)(C)C)no4)C3)nncc2c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE3A Q14432 2/20 0.37
ATM Q13315 1/20 0.37
RECQL P46063 1/20 0.36
PRKDC P78527 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTOR P42345 1/20 0.34
USP2 O75604 1/20 0.33
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3055282 0.88 PDE10A (0.46) ALDH1A1LMNAHPGDTSHRMEN1
SCHEMBL3047030 0.88 PRKDC (0.46) ALDH1A1LMNAHPGDTSHRMEN1
SCHEMBL3056007 0.86 ALDH1A1 (0.43) ALDH1A1LMNAHPGDTSHRMEN1
SCHEMBL3055966 0.82 PDE3A (0.41) ALDH1A1LMNAHPGDTSHRMEN1
SCHEMBL3059655 0.81 MAP4K4 (0.41) ALDH1A1LMNAHPGDTSHRPDE3A
SCHEMBL3056642 0.81 PDE3A (0.40) ALDH1A1LMNAHPGDTSHRPDE3A
SCHEMBL3059818 0.78 PRKDC (0.49) ALDH1A1LMNATSHRPDE3APRKDC
SCHEMBL3059863 0.78 PDE3A (0.38) ALDH1A1LMNAHPGDTSHRPDE3A
SCHEMBL3057226 0.78 PDE3A (0.58) ALDH1A1PDE3APRKDCPDE10AHTT
SCHEMBL3049677 0.77 HTT (0.38) ALDH1A1LMNAKMT2APDE10AHTT

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 ALDH1A1 997/4885LMNA 4217/4885HPGD 489/4885

“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.