SCHEMBL6166811

SCHEMBL6166811

C[C@H](Nc1nccc(CCc2c[nH]c3ccccc23)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTR7 P34969 2/20 0.47
HTR1A P08908 2/20 0.45
EIF2AK2 P19525 1/20 0.45
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
ADORA2A P29274 1/20 0.43
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
SLC2A1 P11166 1/20 0.42
RAD52 P43351 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
LMNA P02545 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
SCHEMBL6169123 1.00 KMT2A (0.52) KMT2AMEN1HTR7HTR1AEIF2AK2
SCHEMBL7169463 0.84 HTR7 (0.66) KMT2AMEN1HTR7HTR1AEIF2AK2
SCHEMBL4375475 0.82 KMT2A (0.51) KMT2AMEN1HTR7HTR1AHTR2A
SCHEMBL4381624 0.79 KMT2A (0.50) KMT2AMEN1HTR1AHTR2AKDM4E
SCHEMBL6166981 0.76 EIF2AK2 (0.63) KMT2AMEN1HTR7HTR1AEIF2AK2
SCHEMBL6169179 0.76 HTR1A (0.47) KMT2AMEN1HTR1AEIF2AK2CCNT1
SCHEMBL10271508 0.74 HTR7 (0.56) HTR7MAPK14
SCHEMBL6168420 0.74 HTR2A (0.49) KMT2AMEN1HTR7HTR1AHTR2A
SCHEMBL15130901 0.72 KMT2A (0.74) KMT2AMEN1HTR1AHTR2AKDM4E
SCHEMBL25570805 0.72 KMT2A (0.74) KMT2AMEN1HTR1AHTR2AKDM4E

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 KMT2A 1750/4885MEN1 4067/4885HTR7 730/4885

“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.