SCHEMBL2462500

SCHEMBL2462500

CN1CCCN(c2cccc(CN)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.62
ADRA2C P18825 1/20 0.57
NCF1 P14598 3/20 0.52
CHKA P35790 3/20 0.51
PRMT6 Q96LA8 3/20 0.51
CA2 P00918 1/20 0.51
CACNA2D1 P54289 5/20 0.51
SLC6A2 P23975 2/20 0.51
HTR3A P46098 1/20 0.44

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
SCHEMBL109344 0.94 AGXT (0.69) AGXTADRA2CNCF1CHKAPRMT6
SCHEMBL109316 0.85 AGXT (0.67) AGXTNCF1CHKAPRMT6
SCHEMBL27662780 0.85 AGXT (0.56) AGXTADRA2CNCF1PRMT6
SCHEMBL24026846 0.85 CHKA (0.68) AGXTADRA2CNCF1CHKAPRMT6
SCHEMBL113454 0.84 CHKA (0.71) AGXTADRA2CNCF1CHKAPRMT6
SCHEMBL113799 0.84 AGXT (0.65) AGXTNCF1CHKAPRMT6
SCHEMBL5095800 0.84 AGXT (0.65) AGXTNCF1CHKAPRMT6
SCHEMBL5790198 0.81 AGXT (0.66) AGXTADRA2CPRMT6HTR3A
SCHEMBL2649456 0.81 ADRA2C (0.86) AGXTADRA2CNCF1CHKACACNA2D1
SCHEMBL8189615 0.79 AGXT (0.67) AGXTADRA2CPRMT6HTR3A

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-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (2 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 AGXT 4241/4885ADRA2C 3844/4885NCF1 1108/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 AGXT 4241/4885ADRA2C 3844/4885NCF1 1108/4885

“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.