SCHEMBL3049174

SCHEMBL3049174

COc1cc2cnnc(N3CCCC(C(=O)c4cccnc4)C3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PDE10A Q9Y233 2/20 0.47
KDM4E B2RXH2 4/20 0.42
KDM2B Q8NHM5 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3062173 0.91 PDE10A (0.54) PDE10AKDM4EKDM2BALDH1A1PDE3A
SCHEMBL3053008 0.88 KLK7 (0.47) KLK7RXFP1KDM4EALDH1A1HTT
SCHEMBL3055212 0.84 PDE10A (0.49) PDE10AKDM4EALDH1A1PDE3BPDE3A
SCHEMBL3051172 0.80 PDE10A (0.42) PDE10AKDM4EKDM2BALDH1A1GAA
SCHEMBL3058287 0.79 PDE10A (0.55) PDE10AALDH1A1KMT2AMAPTLMNA
SCHEMBL3057873 0.78 ALDH1A1 (0.42) KDM4EKDM2BALDH1A1GAAMEN1
Oxalic Acid SCHEMBL11179094 0.75 PDE10A (0.41) PDE10AKDM4EALDH1A1PDE3BPDE3A
SCHEMBL3053038 0.74 PDE10A (0.49) PDE10AKDM4EALDH1A1HTTPDE3B
SCHEMBL3052396 0.74 PDE10A (0.70) PDE10AKDM4EALDH1A1PDE3AL3MBTL1
SCHEMBL11171157 0.74 PDE10A (0.53) PDE10AHTTPDE3AMAPT

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 KLK7 2327/4885RXFP1 3216/4885PDE10A 6/4885

“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.