SCHEMBL2990184

SCHEMBL2990184

CC(=O)NC1CCCc2c1[nH]c1ccc(C(=O)Nc3cccnc3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.58
MAPKAPK2 P49137 4/20 0.57
MAPK1 P28482 2/20 0.52
MAP2K1 Q02750 1/20 0.52
DHODH Q02127 1/20 0.49
NAMPT P43490 2/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2D6 P10635 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL2993854 0.91 MAPK1 (0.58) BRD3MAPKAPK2MAPK1MAP2K1DHODH
SCHEMBL3001121 0.86 MAPKAPK2 (0.61) BRD3MAPKAPK2MAPK1MAP2K1NAMPT
SCHEMBL2990814 0.85 MAPKAPK2 (0.60) MAPKAPK2MAPK1MAP2K1NAMPTNPC1
Hydrochloric Acid SCHEMBL2996814 0.84 MAPKAPK2 (0.59) MAPKAPK2MAPK1MAP2K1NAMPTNPC1
SCHEMBL5459638 0.76 GAA (0.47) BRD3NAMPTMAPTSMN1; SMN2LMNA
SCHEMBL2998498 0.76 MAPKAPK2 (0.75) MAPKAPK2MAPK1MAP2K1NAMPTMAPT
SCHEMBL5460530 0.76 RB1 (0.53) MAPKAPK2DHODHMAPTSMN1; SMN2NPC1
SCHEMBL4025775 0.76 CYP2D6 (0.55) BRD3MAPK1DHODHMAPTALOX15
SCHEMBL4161447 0.75 BRD3 (0.77) BRD3MAPK1DHODHMAPTALOX15
SCHEMBL2996144 0.75 MAPKAPK2 (0.89) MAPKAPK2MAPK1MAP2K1NAMPTNPC1

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 BRD3 933/4885MAPKAPK2 1/4885MAPK1 33/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 BRD3 933/4885MAPKAPK2 1/4885MAPK1 33/4885

“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.