SCHEMBL8317476

SCHEMBL8317476

Cc1cc2c(-c3ccccc3)nn(C)c2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 7/20 0.65
MAPT P10636 7/20 0.57
HPGD P15428 4/20 0.57
POLB P06746 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 1/20 0.50
P2RX3 P56373 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL348602 0.79 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL18500601 0.73 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL13283350 0.73 PIM3 (0.57) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL733140 0.71 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL822675 0.68 L3MBTL1 (0.56) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL14075017 0.68 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL23494024 0.67 KDM4E (0.78) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL17306877 0.67 L3MBTL1 (0.51) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL11688645 0.67 L3MBTL1 (0.55) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL10337766 0.66 MAPT (0.51) KDM4EALDH1A1MAPTPOLBCYP1A2

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-20180185363-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2018-07-05 US disclosed
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US disclosed
US-8912187-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2014-12-16 US disclosed
US-20120010204-A1 Phthalazinone Derivatives MAYBRIDGE LIMITED 2012-01-12 US disclosed
US-7981889-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2011-07-19 US disclosed
US-7981889-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2011-07-19 US disclosed
EP-1633724-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-05-04 EP disclosed
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis KUDOS PHARMACEUTICALS LIMITED 2008-08-21 US disclosed
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis KUDOS PHARMACEUTICALS LIMITED 2008-08-21 US disclosed
WO-2004080976-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2004-09-23 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 (4 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-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 KDM4E 3328/4885ALDH1A1 1599/4885MAPT 4216/4885
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis PARP1, PARP11, PARP2 KDM4E 2709/4885ALDH1A1 1227/4885MAPT 4281/4885
US-20120010204-A1 Phthalazinone Derivatives NR0B1, NR0B2, NR2E1 KDM4E 3377/4885ALDH1A1 1678/4885MAPT 4208/4885
US-20180185363-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 KDM4E 3377/4885ALDH1A1 1678/4885MAPT 4208/4885

“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.