SCHEMBL2806625

SCHEMBL2806625

CN(C)c1ncc2c(n1)CN(C(=O)O)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.48
HPGD P15428 3/20 0.43
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
HSP90B1 P14625 1/20 0.38
FYN P06241 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
ENPP2 Q13822 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CYP1A2 P05177 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL785547 0.87 HSP90AA1 (0.59) HSP90AA1HPGDHSP90B1ENPP2HSP90AB1
SCHEMBL18818608 0.81 DDB1 (0.53) HSP90AA1DDB1CRBNPOLBHDAC1
SCHEMBL28410298 0.78 HSP90AA1 (0.41) HSP90AA1HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL8207690 0.78 HSP90AA1 (0.43) HSP90AA1HSP90B1KMT2APOLBRECQL
SCHEMBL17624119 0.77 HSP90AA1 (0.40) HSP90AA1HPGDHSD17B10ALDH1A1KDM4E
SCHEMBL15530492 0.76 HSP90AB1 (0.47) HSP90AA1HSP90B1KMT2AHDAC1HDAC2
SCHEMBL21591611 0.76 HSP90AA1 (0.44) HSP90AA1HPGDHSP90B1ENPP2DDB1
SCHEMBL28415218 0.76 HSP90AA1 (0.39) HSP90AA1HSP90B1ENPP2DDB1CRBN
SCHEMBL28422108 0.76 HSP90AA1 (0.32) HSP90AA1HSP90B1ENPP2DDB1CRBN
SCHEMBL1503877 0.76 MEN1 (0.42) HSP90AA1HSP90B1KMT2AMEN1

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-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSP90AA1 2838/4885HPGD 1569/4885HSD17B10 310/4885

“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.