SCHEMBL19225906

SCHEMBL19225906

CN(c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1)[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK3 P52333 3/20 0.36
JAK1 P23458 2/20 0.36
MAP4K4 O95819 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ABCC4 O15439 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
CHRNA7 P36544 3/20 0.34
HTR3A P46098 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CNR2 P34972 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL13282848 0.85 TOP1 (0.41) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL19143213 0.85 TOP1 (0.41) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL19881448 0.85 KMT2A (0.49) KMT2A
SCHEMBL13282783 0.85 KMT2A (0.49) KMT2A
SCHEMBL761081 0.84 LMNA (0.38) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL16091822 0.84 HTR3A (0.32) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL764512 0.84 LMNA (0.33) KMT2ALMNAMEN1ABCC4PKM
Hydrochloric Acid SCHEMBL7835276 0.84 KMT2A (0.48) KMT2A
SCHEMBL762285 0.81 MEN1 (0.30) KMT2ALMNAMEN1ABCC4PKM
SCHEMBL15580366 0.81 HTR3A (0.37) KMT2ALMNAMEN1ABCC4PKM

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-20190084978-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS INC (US) 2019-03-21 US disclosed
US-9969730-B2 Stable SNS-595 compositions and methods of preparation SUNESIS PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170226104-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS INC (US) 2017-08-10 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-20170226104-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL JAK2 3166/4885JAK3 3054/4885JAK1 2883/4885
US-20190084978-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL JAK2 3166/4885JAK3 3054/4885JAK1 2883/4885

“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.