SCHEMBL3049677

SCHEMBL3049677

COc1cc2c(N3CCC(c4nc(C)no4)CC3)nncc2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
FAAH O00519 1/20 0.37
OGA O60502 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
KMT2A Q03164 1/20 0.34
NEK2 P51955 3/20 0.34
PDE10A Q9Y233 3/20 0.34
PLK1 P53350 1/20 0.34
NEK1 Q96PY6 1/20 0.34
MAP4K4 O95819 1/20 0.34
ENPP1 P22413 1/20 0.34
NTSR1 P30989 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL3049951 0.89 NTSR1 (0.39) HTTLMNAALDH1A1GPR119KMT2A
SCHEMBL3047030 0.89 PRKDC (0.46) HTTLMNAALDH1A1KMT2APDE10A
SCHEMBL3057287 0.87 HTT (0.39) HTTLMNAALDH1A1GPR119KMT2A
SCHEMBL3062711 0.87 PDE10A (0.46) FAAHOGALMNAGPR119KMT2A
SCHEMBL3047040 0.84 PDE10A (0.39) LMNAKMT2ANEK2PDE10APLK1
SCHEMBL3052324 0.80 NTSR1 (0.36) LMNAKMT2ANEK2PDE10APLK1
SCHEMBL3062890 0.79 NEK2 (0.38) HTTLMNAALDH1A1KMT2ANEK2
SCHEMBL3052060 0.79 LMNA (0.47) LMNANTSR1
SCHEMBL3056006 0.79 NTSR1 (0.39) ALDH1A1NEK2MAP4K4NTSR1
SCHEMBL3042342 0.78 NTSR1 (0.35) LMNAALDH1A1KMT2ANEK2PDE10A

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 4 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
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 HTT 747/4885FAAH 565/4885OGA 4182/4885

“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.