SCHEMBL2465377

SCHEMBL2465377

CN1CCCCCN1[CH]c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
KCNA5 P22460 4/20 0.38
CYP2C19 P33261 4/20 0.38
KCNH2 Q12809 4/20 0.38
KCNE1 P15382 1/20 0.38
HSP90AA1 P07900 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
CYP2B6 P20813 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL947117 0.74 HPGD (0.46) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL1177108 0.72 ALDH1A1 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL8386424 0.68 MEN1 (0.47) CYP1A2CYP2D6CYP2C9HSP90AA1MEN1
SCHEMBL1854513 0.67 SIGMAR1 (0.52) CYP2D6KCNH2SIGMAR1MEN1HPGD
SCHEMBL2464536 0.65 CYP2D6 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL2459601 0.64 MEN1 (0.35) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL28364662 0.63 HDAC3 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL28364661 0.63 HDAC3 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL2234912 0.63 CYP2D6 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5
SCHEMBL12996175 0.63 CYP3A4 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9KCNA5

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 CYP1A2 3835/4885CYP3A4 4073/4885CYP2D6 4384/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 CYP1A2 3835/4885CYP3A4 4073/4885CYP2D6 4384/4885

“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.