SCHEMBL8380343

SCHEMBL8380343

CSc1nc(-c2cccc(C(=O)O)c2)nc(NN2C(=O)C=C(C)C2=O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOS P01100 6/20 0.44
JUN P05412 6/20 0.44
NFKB1 P19838 6/20 0.44
NFKB2 Q00653 6/20 0.44
RELA Q04206 6/20 0.44
FLT3 P36888 10/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
XPO1 O14980 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
SCHEMBL4788369 0.89 FOS (0.44) FOSJUNNFKB1NFKB2RELA
SCHEMBL4785941 0.89 FLT3 (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL8383295 0.87 FOS (0.43) FOSJUNNFKB1NFKB2RELA
SCHEMBL4787489 0.84 FLT3 (0.45) FOSJUNNFKB1NFKB2RELA
SCHEMBL4787812 0.83 FLT3 (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL4996018 0.83 NPSR1 (0.53) FOSJUNNFKB1NFKB2RELA
SCHEMBL4788415 0.82 FLT3 (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL4784974 0.80 FLT3 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL8379706 0.80 JUN (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL8378162 0.79 FOS (0.52) FOSJUNNFKB1NFKB2RELA

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-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S FOS 1166/4885JUN 2091/4885NFKB1 1290/4885

“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.