SCHEMBL3436397

SCHEMBL3436397

CCCNC(=O)c1csc(-c2ccncc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
HDAC2 Q92769 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51

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
SCHEMBL3436271 0.89 HPGD (0.66) HPGDLMNAMAPTHDAC1MEN1
SCHEMBL11114421 0.89 HPGD (0.67) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL28348018 0.86 HPGD (0.63) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL28598419 0.86 HPGD (0.63) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL3436418 0.85 HDAC2 (0.51) HPGDHDAC1CYP1A2CYP3A4CYP2C9
SCHEMBL10272754 0.82 HPGD (0.66) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL10851498 0.81 HPGD (1.00) HPGDLMNAMAPTHDAC1MEN1
SCHEMBL2555278 0.81 HPGD (0.72) HPGDLMNAMAPTHDAC1HDAC3
SCHEMBL3436413 0.80 HPGDS (0.51) HPGDHDAC1CYP1A2CYP3A4CYP2C9
SCHEMBL3436406 0.80 RAB9A (0.45) HPGDHDAC1CYP1A2CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 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 (4 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-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HPGD 2987/4885LMNA 2388/4885MAPT 1229/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HPGD 3075/4885LMNA 4752/4885MAPT 1806/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET HPGD 3075/4885LMNA 4752/4885MAPT 1806/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HPGD 1166/4885LMNA 4712/4885MAPT 1330/4885

“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.