SCHEMBL5819628

SCHEMBL5819628

COC(=O)c1cccc2[nH]c(Sc3cccc4c(=O)cc[nH]c34)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
RIPK1 Q13546 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM1 P11309 1/20 0.42
CRBN Q96SW2 1/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
PSMD14 O00487 1/20 0.38
LMNA P02545 2/20 0.38
NR4A2 P43354 4/20 0.37
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK1 P06493 1/20 0.36
KDR P35968 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
SCHEMBL5821002 0.86 NR4A2 (0.37) PIM3PIM1PSMD14NR4A2KDM4E
SCHEMBL5822839 0.76 KMT2A (0.51) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15808958 0.74 PKN1 (0.62) PKN1PKN2RIPK1CRBNPRMT5
Trifluoroacetic Acid SCHEMBL6367442 0.73 KMT2A (0.43) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5810856 0.71 ALDH1A1 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL6337871 0.71 NR4A2 (0.37) PSMD14LMNANR4A2SMN1; SMN2PRKAG1
SCHEMBL10333598 0.71 NOS3 (0.38) PSMD14LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2830150 0.69 PKN1 (0.61) PKN1PKN2RIPK1CRBNNR4A2
SCHEMBL1170810 0.69 PKN1 (0.77) PKN1PKN2RIPK1PIM3PIM1
SCHEMBL7477535 0.68 PARP1 (0.68) PKN1PKN2RIPK1CRBNKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005511760-A 2005-04-28 JP claimed
US-20050075334-A1 8-(1H-Benzimidazol-2-ylsulfanyl)-4(1H)-quinolinone derivatives; jun N-terminal kinase inhibitors; Alzheimer*s, Parkinson*s, and Huntington*s disease; amyotrophic lateral sclerosis, antiepileptic agents; hemorrhage, seizures, traumatic brain injuries or haemorrhaging strokes ASTRAZENECA AB (SE) 2005-04-07 US claimed
EP-1458712-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP claimed
WO-2003051277-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
US-20050075334-A1 8-(1H-Benzimidazol-2-ylsulfanyl)-4(1H)-quinolinone derivatives; jun N-terminal kinase inhibitors; Alzheimer*s, Parkinson*s, and Huntington*s disease; amyotrophic lateral sclerosis, antiepileptic agents; hemorrhage, seizures, traumatic brain injuries or haemorrhaging strokes ASTRAZENECA AB (SE) 2005-04-07 US disclosed
EP-1458712-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003051277-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-06-26 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 (1 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-20050075334-A1 8-(1H-Benzimidazol-2-ylsulfanyl)-4(1H)-quinolinone derivatives; jun N-terminal kinase inhibitors; Alzheimer*s, Parkinson*s, and Huntington*s disease; amyotrophic lateral sclerosis, antiepileptic agents; hemorrhage, seizures, traumatic brain injuries or haemorrhaging strokes PARK7, HYPK, BCL2A1 PKN1 241/4885PKN2 85/4885RIPK1 55/4885

“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.