SCHEMBL9918654

SCHEMBL9918654

CCOC(=O)c1nnc2[nH]ccc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.52
KDM4E B2RXH2 3/20 0.42
AXL P30530 1/20 0.41
PRKCI P41743 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
JAK3 P52333 4/20 0.39
JAK1 P23458 3/20 0.39
KDM5B Q9UGL1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TARBP2 Q15633 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL9918653 0.84 NUDT1 (0.53) NUDT1KDM4EPOLBALDH1A1KMT2A
SCHEMBL9918650 0.77 AXL (0.41) AXLPRKCIJAK3JAK1
SCHEMBL566667 0.77 NUDT1 (0.65) NUDT1AXLPRKCIKMT2AJAK3
SCHEMBL29477133 0.77 NUDT1 (0.65) NUDT1AXLPRKCIKMT2AJAK3
SCHEMBL9918651 0.76 PRKCI (0.40) NUDT1AXLPRKCIJAK3JAK1
Hydrochloric Acid SCHEMBL29477135 0.76 NUDT1 (0.64) NUDT1AXLPRKCIKMT2AJAK3
Hydrochloric Acid SCHEMBL29234028 0.76 NUDT1 (0.64) NUDT1AXLPRKCIKMT2AJAK3
SCHEMBL20508782 0.74 NUDT1 (0.55) NUDT1KDM4EPOLBALDH1A1KMT2A
SCHEMBL10859897 0.74 KDM4E (0.50) KDM4EPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL10860686 0.72 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AHPGDL3MBTL1

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 NUDT1 1060/4885KDM4E 477/4885AXL 724/4885

“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.