SCHEMBL2999368

SCHEMBL2999368

O=C(Nc1nccs1)c1ccc2[nH]c3c(c2c1)CCCC3=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.62
BRD4 O60885 1/20 0.53
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
POLB P06746 1/20 0.48
ESR2 Q92731 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 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
SCHEMBL2999603 0.81 MAPKAPK2 (0.59) MAPKAPK2BRD4MAPTHSD17B10SMN1; SMN2
SCHEMBL3001693 0.78 MAPKAPK2 (0.56) MAPKAPK2BRD4MAPTKDM4EHSD17B10
SCHEMBL2998498 0.78 MAPKAPK2 (0.75) MAPKAPK2MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL2997900 0.76 MAPKAPK2 (1.00) MAPKAPK2ALDH1A1MAPK1
SCHEMBL3004600 0.75 MAPKAPK2 (0.65) MAPKAPK2MAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3001256 0.75 MAPKAPK2 (1.00) MAPKAPK2MAPK1
SCHEMBL3001898 0.75 KDM4E (0.64) MAPTKDM4EHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL2994985 0.75 KDR (0.52) MAPKAPK2MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL13268193 0.74 MAPKAPK2 (0.56) MAPKAPK2MAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6070647 0.73 KDM4E (0.72) MAPKAPK2MAPTKDM4EHSD17B10SMN1; SMN2

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-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US 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 (2 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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885BRD4 561/4885MAPT 1938/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885BRD4 561/4885MAPT 1938/4885

“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.