SCHEMBL2987172

SCHEMBL2987172

CO/N=C1\CCC(C)(C)c2c1[nH]c1ccc(C(=O)Nc3nccs3)cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.54
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 6/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
ESR2 Q92731 1/20 0.43
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2987173 1.00 MAPKAPK2 (0.54) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2997857 0.91 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2997854 0.91 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL3001287 0.90 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL3001291 0.90 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2999603 0.86 MAPKAPK2 (0.59) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL13268193 0.85 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL3004600 0.79 MAPKAPK2 (0.65) MAPKAPK2RAB9ASMN1; SMN2MAPK1NPC1
SCHEMBL2994733 0.71 MAPKAPK2 (0.57) MAPKAPK2MAPK1NPC1ALDH1A1
SCHEMBL2994736 0.71 MAPKAPK2 (0.57) MAPKAPK2MAPK1NPC1ALDH1A1

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 6 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 claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
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 1/4885RAB9A 1982/4885SMN1; SMN2 3033/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 MAPKAPK2 1/4885RAB9A 1982/4885SMN1; SMN2 3033/4885

“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.