SCHEMBL6166981

SCHEMBL6166981

OCCNc1nccc(CCc2c[nH]c3ccccc23)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.63
CCNT1 O60563 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
HTR1A P08908 5/20 0.52
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ADORA2A P29274 1/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.47
RAD52 P43351 1/20 0.47
HTR2A P28223 2/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL6169179 0.81 HTR1A (0.47) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL27541275 0.80 CCNT1 (0.59) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL30579418 0.77 CCNT1 (0.67) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL6166811 0.76 KMT2A (0.52) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL6169123 0.76 KMT2A (0.52) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL6168420 0.76 HTR2A (0.49) HTR1AKMT2APOLBSLC2A1RAD52
SCHEMBL4900043 0.74 EIF2AK2 (0.75) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL4907259 0.72 CCNT1 (0.66) EIF2AK2CCNT1CCNA2CDK2CDK9
SCHEMBL734448 0.71 HTR2A (0.56) HTR1AADORA2AKMT2APOLBHTR2A
SCHEMBL4017867 0.71 MC5R (0.71) HTR1AKMT2APOLBHTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US claimed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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 (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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT EIF2AK2 256/4885CCNT1 161/4885CCNA2 327/4885

“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.