SCHEMBL9921968

SCHEMBL9921968

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
HCAR2 Q8TDS4 1/20 0.33
CYP2A6 P11509 1/20 0.33
BRD4 O60885 2/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CDC7 O00311 3/20 0.31
IKBKB O14920 2/20 0.31
MAP2K1 Q02750 1/20 0.31
PDPK1 O15530 1/20 0.31

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
SCHEMBL9918796 0.71 DGAT1 (0.38) BRD4MEN1ALDH1A1MAPTMAPK1
SCHEMBL19490573 0.68 CDC7 (0.41) HCAR2BRD4MEN1ALDH1A1MAPT
SCHEMBL9918749 0.65 CYP1A2 (0.49) ALDH1A1MAPTMAPK1
SCHEMBL24490640 0.65 CDC7 (0.48) HCAR2BRD4MEN1ALDH1A1MAPT
SCHEMBL4351487 0.64 BRD4 (0.68) BRD4CDC7IKBKB
SCHEMBL4343610 0.63 CDC7 (0.45) BRD4CDC7
SCHEMBL7124498 0.63 BRD4 (0.38) ERN1BRD4CDC7MAP2K1
SCHEMBL4348090 0.62 BRD4 (0.41) BRD4MAPK1CDC7
SCHEMBL2196043 0.62 CDC7 (0.61) BRD4MEN1ALDH1A1MAPTKMT2A
SCHEMBL4346525 0.62 CDC7 (0.61) BRD4CDC7MAP2K1

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ERN1 616/4885HCAR2 1777/4885CYP2A6 2014/4885

“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.