SCHEMBL2461232

SCHEMBL2461232

O=c1[nH]nc(Cl)c2ccc(NCc3ccccc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.54
HAO1 Q9UJM8 1/20 0.51
MAOB P27338 1/20 0.46
AR P10275 1/20 0.45
DHFR P00374 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PARP1 P09874 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
CDC25B P30305 1/20 0.44
POLB P06746 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43

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
SCHEMBL5069615 0.97 IP6K1 (0.52) IP6K1HAO1MAOBARDHFR
SCHEMBL2461203 0.95 IP6K1 (0.54) IP6K1HAO1MAOBARDHFR
SCHEMBL2463774 0.89 LMNA (0.46) IP6K1MAPTMEN1RECQLKMT2A
SCHEMBL2463099 0.88 AURKB (0.48) IP6K1HAO1MAPTKDM4EPARP1
SCHEMBL2456640 0.86 NTRK1 (0.47) IP6K1MAPTPARP1NTRK1NTRK3
SCHEMBL2461174 0.86 BRD4 (0.44) IP6K1HAO1MAOBMAPTGAA
SCHEMBL2462601 0.85 IP6K1 (0.48) IP6K1HAO1ARMAPTKDM4E
SCHEMBL2462735 0.84 LMNA (0.47) IP6K1MAPTKDM4EGAAMEN1
SCHEMBL2457412 0.83 MAPT (0.56) MAPTKDM4EGAAMEN1ALDH1A1
SCHEMBL2460485 0.83 MAOB (0.47) IP6K1MAOBMAPTKDM4EGAA

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 17 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
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
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-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-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
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US 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
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 IP6K1 132/4885HAO1 4074/4885MAOB 2910/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 IP6K1 132/4885HAO1 4074/4885MAOB 2910/4885

“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.