SCHEMBL8738345

SCHEMBL8738345

Cc1nc(Nc2cccnc2)sc1C(=O)CBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.53
CDK5R1 Q15078 10/20 0.53
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 4/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
PIK3CG P48736 1/20 0.49
CDK2 P24941 2/20 0.48
GSK3B P49841 1/20 0.48
KDM4E B2RXH2 2/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 2/20 0.48
NCOA1 Q15788 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.47

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
Bromide SCHEMBL6114093 0.99 CDK5 (0.52) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL8738341 0.85 RAB9A (0.66) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL8738460 0.85 SMN1; SMN2 (0.52) CDK5CDK5R1RAB9ANPC1MAPT
Bromide SCHEMBL6121426 0.84 SMN1; SMN2 (0.65) CDK5CDK5R1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL6113942 0.84 RAB9A (0.64) CDK5CDK5R1RAB9ANPC1MAPT
Bromide SCHEMBL6114293 0.84 SMN1; SMN2 (0.54) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL2832890 0.79 ALDH1A1 (0.48) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL8737987 0.77 ALDH1A1 (0.71) CDK5CDK5R1RAB9ANPC1MAPT
SCHEMBL29044481 0.77 PTGDR2 (0.53) CDK5CDK5R1NPC1MAPTHPGD
SCHEMBL30522187 0.77 PTGDR2 (0.53) CDK5CDK5R1NPC1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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 (1 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 CDK5 354/4885CDK5R1 178/4885RAB9A 1157/4885

“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.