SCHEMBL5095800

SCHEMBL5095800

NCc1cccc(N2CCCCCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.65
PRMT6 Q96LA8 2/20 0.63
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49
CHKA P35790 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
L3MBTL3 Q96JM7 2/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL113799 1.00 AGXT (0.65) AGXTPRMT6KLKB1KLK1CHKA
SCHEMBL109316 0.98 AGXT (0.67) AGXTPRMT6KLKB1KLK1CHKA
SCHEMBL27662780 0.90 AGXT (0.56) AGXTPRMT6L3MBTL1L3MBTL3MBTD1
SCHEMBL2462500 0.84 AGXT (0.62) AGXTPRMT6CHKANCF1
SCHEMBL27585372 0.84 AGXT (0.50) AGXTPRMT6KLKB1KLK1L3MBTL1
SCHEMBL109344 0.82 AGXT (0.69) AGXTPRMT6CHKAKMT2AALDH1A1
SCHEMBL108136 0.82 AGXT (0.69) AGXTPRMT6KLKB1KLK1KMT2A
SCHEMBL13157040 0.82 AGXT (0.49) AGXTPRMT6L3MBTL1L3MBTL3MBTD1
SCHEMBL27475990 0.82 HTR7 (0.60) AGXTALDH1A1MAPTHTT
SCHEMBL27468903 0.82 AGXT (0.49) AGXTPRMT6LMNANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B AGXT 3446/4885PRMT6 167/4885KLKB1 2242/4885

“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.