SCHEMBL764512

SCHEMBL764512

CN(c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1)[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1CO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR3A P46098 1/20 0.32
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL762285 0.95 MEN1 (0.30) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL12734253 0.89
SCHEMBL16091822 0.88 HTR3A (0.32) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL12055755 0.86 HTR3A (0.35) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL761454 0.85
SCHEMBL10072571 0.85 LMNA (0.34) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL12458892 0.85 EPHA2 (0.35) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL19225906 0.84 JAK2 (0.36) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL761081 0.82 LMNA (0.38) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL12458625 0.80 EPHA2 (0.35) LMNAMEN1ABCC4PKMPTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138202-B2 Stable SNS-595 compositions and methods of preparation SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20110086876-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS, INC. 2011-04-14 US disclosed
US-20110082169-A1 Stable SNS-595 Compositions and Methods of Preparation SUNESIS PHARMACEUTICALS, INC. 2011-04-07 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 (2 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-20110082169-A1 Stable SNS-595 Compositions and Methods of Preparation NES, NCDN, NCL LMNA 410/4885MEN1 1500/4885ABCC4 4088/4885
US-20110086876-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL LMNA 410/4885MEN1 1500/4885ABCC4 4088/4885

“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.