SCHEMBL2456774

SCHEMBL2456774

[CH2]c1ccccc1N1CCNC(C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTR2C P28335 1/20 0.42
KHK P50053 2/20 0.40
ADRB1 P08588 3/20 0.39
MAPT P10636 1/20 0.39
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
BIRC2 Q13490 1/20 0.37
HDAC1 Q13547 1/20 0.36
CSNK1E P49674 1/20 0.36
BCL2A1 Q16548 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
DRD2 P14416 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD3 P35462 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HTR3D Q70Z44 1/20 0.36

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
SCHEMBL21268764 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL21268746 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL21281577 0.81 ADRB1 (0.61) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL547368 0.80 MEN1 (0.56) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL2246683 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKCYP2C19
SCHEMBL2249111 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKCYP2C19
SCHEMBL5268435 0.80 NOTUM (0.48) ALDH1A1LMNAHTR2CKHKCYP2C19
SCHEMBL11106905 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHTR2CKHKADRB1
SCHEMBL25407029 0.78 DRD2 (0.64) ALDH1A1LMNAADRB1MAPTBRPF1
SCHEMBL4244450 0.78 HTR6 (0.61) ALDH1A1LMNAHTR2CKHKMAPT

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 ALDH1A1 3613/4885LMNA 3793/4885HTR2C 2106/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 ALDH1A1 3613/4885LMNA 3793/4885HTR2C 2106/4885

“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.