SCHEMBL13652736

SCHEMBL13652736

CCCn1c(C=O)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.58
TSHR P16473 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
MAPK1 P28482 2/20 0.51
RXFP1 Q9HBX9 2/20 0.50
HTT P42858 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
JAK2 O60674 1/20 0.48
NR2F2 P24468 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 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
SCHEMBL17786283 0.84 TSHR (0.58) USP2TSHRCYP1A2CYP2C19MAPK1
SCHEMBL13659056 0.82 ALDH1A1 (0.53) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL27474615 0.80 ADORA2A (0.56) CYP1A2CYP2C19RXFP1KMT2AHSD17B10
SCHEMBL25208043 0.78 USP2 (0.61) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25219229 0.78 CYP1A2 (0.83) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL7292412 0.77 ADORA2A (0.55)
Diethylamine SCHEMBL11383320 0.77 USP2 (0.56) USP2TSHRCYP1A2CYP2C19RECQL
Dimethylamine SCHEMBL11392679 0.76 USP2 (0.58) USP2TSHRCYP1A2CYP2C19RECQL
SCHEMBL25230749 0.76 HSD17B10 (0.60) USP2TSHRCYP1A2CYP2C19RECQL
Diethylamine SCHEMBL11379475 0.75 TSHR (0.55) USP2TSHRCYP1A2CYP2C19RECQL

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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 (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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES USP2 4044/4885TSHR 4758/4885CYP1A2 3531/4885

“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.