SCHEMBL2996971

SCHEMBL2996971

CN(C)CCNC(=O)c1csc(C(N)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
FPR3 P25089 2/20 0.43
FPR2 P25090 2/20 0.43
MAPK1 P28482 2/20 0.42
HIF1A Q16665 1/20 0.41
ALOX15 P16050 1/20 0.40
CA2 P00918 2/20 0.40
CHEK2 O96017 1/20 0.40
PARP1 P09874 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3004442 0.93 ALOX15 (0.48) USP2FPR3FPR2MAPK1HIF1A
SCHEMBL2996975 0.83 USP2 (0.48) USP2MAPK1HIF1AALOX15CA2
SCHEMBL2986992 0.81 PANK3 (0.54) MAPK1HIF1AHTTSMN1; SMN2HDAC3
SCHEMBL6969859 0.79 USP2 (0.47) USP2MAPK1HIF1AALOX15POLB
SCHEMBL3095218 0.77 ADORA2A (0.39) HIF1APOLBHTTHDAC3HDAC4
SCHEMBL3004447 0.76 ALOX15 (0.50) USP2FPR3FPR2HIF1AALOX15
SCHEMBL2990831 0.76 NR1I2 (0.52) POLBHDAC1HDAC8HDAC6NPC1
SCHEMBL2992353 0.74 POLB (0.41) MAPK1ALOX15CHEK2PARP1POLB
SCHEMBL2996339 0.73 MAPK1 (0.52) USP2MAPK1CA2CHEK2POLB
SCHEMBL9331208 0.72 HDAC3 (0.46) HIF1AHDAC3HDAC4HDAC1HDAC7

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 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-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 USP2 1609/4885FPR3 2894/4885FPR2 1180/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 USP2 1609/4885FPR3 2894/4885FPR2 1180/4885

“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.