SCHEMBL2464536

SCHEMBL2464536

CC([CH]c1ccccc1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.47
KCNA5 P22460 7/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C19 P33261 6/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 4/20 0.47
KCNH2 Q12809 4/20 0.47
KCNE1 P15382 2/20 0.47
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL2234912 0.98 CYP2D6 (0.45) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL28364661 0.81 HDAC3 (0.49) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL28364662 0.81 HDAC3 (0.49) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL5598052 0.79 HDAC3 (0.50) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL2744570 0.79 HDAC3 (0.50) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL608608 0.72 SLC6A2 (0.44) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL20191913 0.69 CYP2D6 (0.79) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL2631769 0.69 CYP2D6 (0.79) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL1406105 0.69 CYP2D6 (0.79) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2
SCHEMBL2744000 0.69 CYP3A4 (0.47) CYP2D6KCNA5CYP3A4CYP2C19CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
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 CYP2D6 4384/4885KCNA5 1819/4885CYP3A4 4073/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 CYP2D6 4384/4885KCNA5 1819/4885CYP3A4 4073/4885

“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.