SCHEMBL761449

SCHEMBL761449

Cc1cn(-c2nccs2)c2nc(N3C[C@H](C)[C@@H](C)C3)ccc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
EP300 Q09472 1/20 0.34
KAT2A Q92830 1/20 0.34
KAT2B Q92831 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
S1PR4 O95977 1/20 0.33
GLA P06280 1/20 0.33
S1PR1 P21453 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16088864 0.92 CHRNA7 (0.33) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL15942719 0.86 KDM4C (0.32) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL13282849 0.86 HRH4 (0.43)
SCHEMBL761081 0.86 LMNA (0.38) ALDH1A1KDM4EPKMKMT2AMEN1
SCHEMBL13212356 0.85 CHRNA7 (0.34) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL15942720 0.85 KDM4E (0.31) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL13212352 0.85 ALDH1A1 (0.32) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL10072565 0.84 HTR3A (0.31) ALDH1A1KMT2AHTR3ANPSR1PPARG
SCHEMBL9927991 0.84 HTR3A (0.31) ALDH1A1GAAHTR3A
SCHEMBL10072567 0.84 HTR3A (0.31) ALDH1A1GAAHTR3AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969730-B2 Stable SNS-595 compositions and methods of preparation SUNESIS PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9839630-B2 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. (US) 2017-12-12 US disclosed
US-20170226104-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS INC (US) 2017-08-10 US disclosed
US-20170035741-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. 2017-02-09 US disclosed
US-9469635-B2 Stable SNS-595 compositions and methods of preparation SUNESIS PHARMACEUTICALS, INC. (US) 2016-10-18 US disclosed
US-20140275547-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-8802719-B2 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. (US) 2014-08-12 US disclosed
US-20140171660-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. 2014-06-19 US disclosed
US-8586601-B2 Stable SNS-595 compositions and methods of preparation SUNESIS PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
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 (6 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 ALDH1A1 3346/4885KDM4E 4228/4885MAPT 1995/4885
US-20140275547-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL ALDH1A1 3346/4885KDM4E 4228/4885MAPT 1995/4885
US-20170035741-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 ALDH1A1 66/4885KDM4E 2201/4885MAPT 1587/4885
US-20140171660-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, DNM1, MT-ND1 ALDH1A1 78/4885KDM4E 2190/4885MAPT 1666/4885
US-20110086876-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL ALDH1A1 3346/4885KDM4E 4228/4885MAPT 1995/4885
US-20170226104-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION NES, NCDN, NCL ALDH1A1 3346/4885KDM4E 4228/4885MAPT 1995/4885

“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.