SCHEMBL9918796

SCHEMBL9918796

NC(=O)c1cc(F)[nH]c1N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.38
CDC7 O00311 7/20 0.34
BRD4 O60885 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
IKBKB O14920 3/20 0.33
JAK2 O60674 1/20 0.33
EIF2AK2 P19525 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAP2K1 Q02750 1/20 0.32
PDPK1 O15530 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
SCHEMBL9918792 0.81 BRD4 (0.37) BRD4MEN1KMT2A
SCHEMBL4343610 0.74 CDC7 (0.45) CDC7BRD4
SCHEMBL4339819 0.72 CDC7 (0.61) CDC7BRD4MEN1KMT2AIKBKB
SCHEMBL4348090 0.72 BRD4 (0.41) DGAT1CDC7BRD4MAPK1JAK2
SCHEMBL9918801 0.71 ALDH1A1 (0.40) DGAT1CDC7KMT2APARP1ALDH1A1
SCHEMBL19490573 0.71 CDC7 (0.41) CDC7BRD4MEN1KMT2APARP1
SCHEMBL9921968 0.71 ERN1 (0.37) CDC7BRD4MEN1KMT2AALDH1A1
SCHEMBL4351548 0.70 IDO1 (0.46) CDC7BRD4
SCHEMBL4346833 0.70 CDC7 (0.54) CDC7BRD4PARP1
SCHEMBL4348635 0.69 BRD4 (0.45) CDC7BRD4MEN1KMT2AALDH1A1

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 DGAT1 3082/4885CDC7 317/4885BRD4 402/4885

“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.