SCHEMBL3047030

SCHEMBL3047030

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MTOR P42345 1/20 0.42
MAP4K4 O95819 2/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.40
PDE3A Q14432 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.37
PDE10A Q9Y233 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL3049677 0.89 HTT (0.38) ALDH1A1LMNAMAP4K4KMT2APDE10A
SCHEMBL3053157 0.88 ALDH1A1 (0.43) PRKDCALDH1A1LMNAMTORHPGD
SCHEMBL3056007 0.88 ALDH1A1 (0.43) PRKDCALDH1A1LMNAMTORHPGD
SCHEMBL3057235 0.88 PRKDC (0.48) PRKDCALDH1A1LMNAMTORMAP4K4
SCHEMBL3059655 0.85 MAP4K4 (0.41) ALDH1A1LMNAMAP4K4HPGDTSHR
SCHEMBL3056642 0.85 PDE3A (0.40) PRKDCALDH1A1LMNAHPGDTSHR
SCHEMBL3055966 0.85 PDE3A (0.41) PRKDCALDH1A1LMNAHPGDTSHR
SCHEMBL3059818 0.80 PRKDC (0.49) PRKDCALDH1A1LMNATSHRPDE3A
SCHEMBL3059863 0.80 PDE3A (0.38) PRKDCALDH1A1LMNAHPGDTSHR
SCHEMBL3057226 0.80 PDE3A (0.58) PRKDCALDH1A1PDE3APDE10AHTT

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 PRKDC 1357/4885ALDH1A1 997/4885LMNA 4217/4885

“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.