SCHEMBL9918668

SCHEMBL9918668

COC(=O)CC(=O)c1ccn(P)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
RAB9A P51151 1/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7325386 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL275775 0.70 KMT2A (0.67) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL17295082 0.68 CA1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29035576 0.68 KMT2A (0.64) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL14918369 0.68 CA1 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL434768 0.68 CA12 (0.57) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL333688 0.68 CA1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1201267 0.68 NPC1 (0.62) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL21456549 0.68 SMN1; SMN2 (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL17295084 0.67 ALDH1A1 (0.64) KMT2AALDH1A1MAPTLMNAHSD17B10

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 4 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
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 628/4885MEN1 440/4885ALDH1A1 1507/4885

“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.