SCHEMBL3001291

SCHEMBL3001291

CC1(C)CCC(=NN)c2[nH]c3ccc(C(=O)Nc4nccs4)cc3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 6/20 0.56
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 4/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 6/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAP2K1 Q02750 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 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
SCHEMBL3001287 1.00 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2997854 0.92 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2997857 0.92 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2987172 0.90 MAPKAPK2 (0.54) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2987173 0.90 MAPKAPK2 (0.54) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2999603 0.87 MAPKAPK2 (0.59) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL13268193 0.86 MAPKAPK2 (0.56) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3004600 0.81 MAPKAPK2 (0.65) MAPKAPK2RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3000940 0.81 MAPKAPK2 (0.56) MAPKAPK2MAPK1ALDH1A1NPC1MAPT
SCHEMBL3000941 0.81 MAPKAPK2 (0.56) MAPKAPK2MAPK1ALDH1A1NPC1MAPT

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 3 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-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.