SCHEMBL763215

SCHEMBL763215

CN[C@H]1CN(c2ccc3c(=O)c(C=O)cn(-c4nccs4)c3n2)C[C@@H]1OC

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CHRNA7 P36544 3/20 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
Hydrochloric Acid SCHEMBL7835718 0.99 OPRK1 (0.31) OPRK1ALDH1A1PPARGMAPK10KMT2A
Hydrochloric Acid SCHEMBL7835735 0.99 OPRK1 (0.31) OPRK1ALDH1A1PPARGMAPK10KMT2A
Hydrochloric Acid SCHEMBL7835724 0.99 OPRK1 (0.31) OPRK1ALDH1A1PPARGMAPK10KMT2A
SCHEMBL676679 0.89 ALDH1A1 (0.32) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL8802441 0.86 RET (0.31)
SCHEMBL8802444 0.86 RET (0.31)
SCHEMBL8802452 0.86 RET (0.31)
SCHEMBL15929815 0.86 HTR3A (0.36) OPRK1ALDH1A1PPARGMAPK10KMT2A
SCHEMBL1611020 0.86 ALDH1A1 (0.31) ALDH1A1PPARGMAPK10KMT2ANPSR1
Vosaroxin SCHEMBL3207291 0.86 HTR3A (0.35) ALDH1A1PPARGMAPK10KMT2ANPSR1

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-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
US-20100203162-A1 Method of preparing (+)-1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid SUNESIS PHARMACEUTICALS, INC. 2010-08-12 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 (3 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 OPRK1 79/4885ALDH1A1 3346/4885PPARG 3341/4885
US-20100203162-A1 Method of preparing (+)-1,4-dihydro-7-[(3S,4S)-3-methoxy-4-(methylamino)-1-pyrrolidinyl]-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic acid CYP7A1, MT-ND1, DNM1 OPRK1 269/4885ALDH1A1 66/4885PPARG 690/4885
US-20110086876-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL OPRK1 79/4885ALDH1A1 3346/4885PPARG 3341/4885

“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.