SCHEMBL5822682

SCHEMBL5822682

O=c1cc[nH]c2c(Sc3nc4cc(Cl)ccc4[nH]3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
ALDH1A1 P00352 2/20 0.40
RHEB Q15382 4/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
STAT3 P40763 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.36
CCR8 P51685 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
AR P10275 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL6588786 0.90 MEN1 (0.39) PRKAG1PRKAA2PRKAB1ALDH1A1RHEB
SCHEMBL5822839 0.87 KMT2A (0.51) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
SCHEMBL5820048 0.82 PRKAG1 (0.44) PRKAG1PRKAA2PRKAB1ALDH1A1RHEB
SCHEMBL6338723 0.81 ALDH1A1 (0.38) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
SCHEMBL6346213 0.81 KMT2A (0.41) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL6367442 0.78 KMT2A (0.43) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
SCHEMBL5817654 0.78 KMT2A (0.42) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL10333279 0.74 ALDH1A1 (0.68) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
SCHEMBL8382700 0.72 KMT2A (0.51) PRKAG1PRKAA2PRKAB1ALDH1A1KMT2A
SCHEMBL6366772 0.72 HRH4 (0.52) ALDH1A1KMT2AMEN1MAPTTDP1

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 PRKAG1 340/4885PRKAA2 485/4885PRKAB1 437/4885

“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.