SCHEMBL3972391

SCHEMBL3972391

CSc1nc2ccccc2n1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
HTT P42858 3/20 0.60
POLB P06746 1/20 0.60
LMNA P02545 4/20 0.58
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 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
SCHEMBL11201897 0.84 HTT (0.55) MAPTHTTPOLBLMNATSHR
SCHEMBL6276823 0.81 MAPT (0.55) MAPTHTTPOLBLMNATSHR
SCHEMBL5110177 0.81 MEN1 (0.72) MAPTLMNASMN1; SMN2RECQLKMT2A
SCHEMBL6313465 0.81 MAPT (0.55) MAPTHTTPOLBLMNATSHR
SCHEMBL8360122 0.81 MAPT (0.55) MAPTHTTPOLBLMNATSHR
SCHEMBL24129458 0.78 HPGD (0.61) MAPTHTTPOLBLMNATSHR
SCHEMBL11707322 0.78 HTT (0.58) MAPTHTTPOLBLMNATSHR
SCHEMBL31498004 0.77 TNF (0.64) MAPTHTTLMNATSHRSMN1; SMN2
SCHEMBL4191641 0.77 TNF (0.64) MAPTHTTLMNATSHRSMN1; SMN2
SCHEMBL5717617 0.76 HTT (0.53) MAPTHTTPOLBLMNATSHR

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-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MAPT 2040/4885HTT 4656/4885POLB 1914/4885

“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.