SCHEMBL5529688

SCHEMBL5529688

CC(C)(O)CNC(=O)c1cc(-c2ccc(Cl)cn2)n(-c2cccnc2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 3/20 0.52
NTRK1 P04629 7/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
DHODH Q02127 1/20 0.43
MALT1 Q9UDY8 8/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL5529104 0.87 CNR1 (0.51) MARS1CNR1CNR2DHODHMALT1
SCHEMBL5978720 0.86 CNR2 (0.65) MARS1NTRK1CNR1CNR2MALT1
SCHEMBL5524832 0.85 CNR1 (0.54) MARS1NTRK1CNR1CNR2DHODH
SCHEMBL4932725 0.82 MARS1 (0.64) MARS1MEN1KMT2A
SCHEMBL5528409 0.81 CNR1 (0.45) MARS1NTRK1CNR1CNR2NTRK3
SCHEMBL5521994 0.81 CNR1 (0.45) MARS1NTRK1CNR1CNR2NTRK3
SCHEMBL4927109 0.80 KMT2A (0.52) MARS1MEN1KMT2A
SCHEMBL5530134 0.79 CNR1 (0.50) MARS1NTRK1CNR1CNR2MALT1
SCHEMBL5522084 0.77 CNR1 (0.52) MARS1CNR1CNR2DHODHMALT1
SCHEMBL5522031 0.77 CNR1 (0.52) MARS1CNR1CNR2MALT1MEN1

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-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 MARS1 2982/4885NTRK1 3841/4885CNR1 76/4885

“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.