SCHEMBL9921987

SCHEMBL9921987

CCOC(=O)CNNc1[nH]ccc1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
NUDT1 P36639 1/20 0.46
TSHR P16473 1/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9918655 0.78 KMT2A (0.55) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL9921794 0.75 KMT2A (0.46) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL9921696 0.73 KMT2A (0.44) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL1156163 0.72 KMT2A (0.58) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL29210125 0.72 KMT2A (0.71) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL3267220 0.71 KMT2A (0.56) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL163150 0.71 KMT2A (0.56) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL2069470 0.71 KMT2A (0.56) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL9918675 0.70 KMT2A (0.47) KMT2ANUDT1TSHRALDH1A1KDM4E
SCHEMBL29175882 0.70 KMT2A (0.47) KMT2ANUDT1TSHRALDH1A1KDM4E

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-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 628/4885NUDT1 1060/4885TSHR 2606/4885

“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.