SCHEMBL3049822

SCHEMBL3049822

CCNc1nccc(C2CCN(c3nncc4c(OC)c(OC)c(OC)cc34)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 6/20 0.36
ZAP70 P43403 6/20 0.35
PLK1 P53350 1/20 0.35
NEK1 Q96PY6 1/20 0.35
AURKA O14965 2/20 0.34
CDK1 P06493 2/20 0.34
AURKB Q96GD4 2/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
LCK P06239 3/20 0.34
PRKD3 O94806 2/20 0.34
PRKCG P05129 2/20 0.34
PRKCB P05771 2/20 0.34
PRKCA P17252 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCI P41743 2/20 0.34
PRKCE Q02156 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCZ Q05513 2/20 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
SCHEMBL3055953 0.88 PDE10A (0.44) MKNK1PDE10ALMNAKMT2AHTR1A
SCHEMBL3062890 0.85 NEK2 (0.38) NEK2PLK1NEK1PDE10AMAP4K4
SCHEMBL3052165 0.84 NTSR1 (0.41) NEK2PLK1NEK1PDE10ALMNA
SCHEMBL3051161 0.84 LMNA (0.39) NEK2PLK1NEK1PDE10ALMNA
SCHEMBL3055858 0.81 GSK3B (0.37) NEK2PLK1NEK1PDE10AGSK3B
SCHEMBL3052033 0.80 PDE10A (0.41) NEK2PLK1NEK1ACHEBACE1
SCHEMBL3049868 0.77 LMNA (0.42) NEK2PDE10ALMNAKMT2A
SCHEMBL3055190 0.77 NTSR1 (0.41) NEK2PLK1NEK1PDE10ALMNA
SCHEMBL3058117 0.76 PDE3A (0.40) PDE10AMAP4K4IGF1RLMNAHTR1A
SCHEMBL3062904 0.74 PDE10A (0.37) NEK2PLK1NEK1CDK9PDE10A

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
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

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 NEK2 1619/4885ZAP70 201/4885PLK1 2539/4885

“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.