SCHEMBL8378162

SCHEMBL8378162

CSc1nc(-c2ccc(C(F)(F)F)cc2)nc(NN2C(=O)C=C(C)C2=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOS P01100 4/20 0.52
JUN P05412 4/20 0.52
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
FLT3 P36888 5/20 0.47
XPO1 O14980 9/20 0.45
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4996018 0.89 NPSR1 (0.53) FOSJUNNFKB1NFKB2RELA
SCHEMBL4788415 0.88 FLT3 (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL4787812 0.87 FLT3 (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL4786431 0.87 NPSR1 (0.53) FOSJUNNFKB1NFKB2RELA
SCHEMBL4785941 0.87 FLT3 (0.48) FOSJUNNFKB1NFKB2RELA
SCHEMBL8379706 0.86 JUN (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL4784974 0.86 FLT3 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL4785196 0.85 FLT3 (0.49) FOSJUNNFKB1NFKB2RELA
SCHEMBL7892024 0.83 FOS (0.52) FOSJUNNFKB1NFKB2RELA
SCHEMBL4787489 0.83 FLT3 (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
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.