SCHEMBL10447019

SCHEMBL10447019

NCC[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HRH1 P35367 1/20 0.47
TNF P01375 8/20 0.46
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4770286 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10323079 0.83 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10323080 0.83 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL14587405 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL5834090 0.81 CASP3 (0.53) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL7340237 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL7343840 0.80 TNF (0.52) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL10448820 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL12898667 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1TNFPOLB
SCHEMBL16322141 0.79 MEN1 (0.58) ALDH1A1HSD17B10L3MBTL1TNFPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD ALDH1A1 2619/4885HSD17B10 4275/4885L3MBTL1 3807/4885

“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.