SCHEMBL4996018

SCHEMBL4996018

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
FLT3 P36888 9/20 0.48
FOS P01100 8/20 0.45
JUN P05412 8/20 0.45
NFKB1 P19838 8/20 0.45
NFKB2 Q00653 8/20 0.45
RELA Q04206 8/20 0.45
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
SCHEMBL4788415 0.93 FLT3 (0.48) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4787812 0.92 FLT3 (0.47) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4786431 0.92 NPSR1 (0.53) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4785941 0.92 FLT3 (0.48) NPSR1FLT3FOSJUNNFKB1
SCHEMBL8379706 0.90 JUN (0.52) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4784974 0.90 FLT3 (0.46) NPSR1FLT3FOSJUNNFKB1
SCHEMBL8378162 0.89 FOS (0.52) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4788369 0.88 FOS (0.44) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4787489 0.87 FLT3 (0.45) NPSR1FLT3FOSJUNNFKB1
SCHEMBL4785196 0.87 FLT3 (0.49) NPSR1FLT3FOSJUNNFKB1

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
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
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
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 NPSR1 992/4885FLT3 1941/4885FOS 1166/4885

“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.