SCHEMBL10072571

SCHEMBL10072571

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ABCC4 O15439 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR3A P46098 4/20 0.33
TOP1 P11387 2/20 0.32
TPSAB1 Q15661 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL12458892 0.91 EPHA2 (0.35) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL12458625 0.91 EPHA2 (0.35) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL10072568 0.89 RXFP1 (0.36) LMNAKMT2AMEN1TSHRKDM4E
SCHEMBL10083541 0.88 LMNA (0.34) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL12055755 0.88 HTR3A (0.35) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL9927991 0.88 HTR3A (0.31) HTR3AALDH1A1
SCHEMBL19039323 0.88 HTR3A (0.31) HTR3AALDH1A1
SCHEMBL7840397 0.85 EPHA2 (0.37) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL764512 0.85 LMNA (0.33) LMNAKMT2AMEN1ABCC4PKM
SCHEMBL761081 0.85 LMNA (0.38) LMNAKMT2AMEN1ABCC4PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676774-B2 Compounds and compositions for treatment of cancer SUNESIS PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170101404-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS INC (US) 2017-04-13 US disclosed
US-20150150858-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS, INC. 2015-06-04 US disclosed
US-20140378505-A1 SNS-595 AND METHODS OF USING THE SAME SUNESIS PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8765954-B2 1,8-naphthyridine compounds for the treatment of cancer SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120245198-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS INC. 2012-09-27 US disclosed
US-8124773-B2 1,8-naphthyridine compounds for the treatment of cancer SUNESIS PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2295056-A1 Use of SNS-595 for treating leukemia Sunesis Pharmaceuticals, Inc. (US) 2011-03-16 EP disclosed
WO-2011028979-A1 STABLE SNS-595 COMPOSITIONS AND METHODS OF PREPARATION SUNESIS PHARMACEUTICALS, INC. (US) 2011-03-10 WO disclosed
EP-1725233-B1 PHARMACEUTICAL COMPOSITION COMPRISING SNS-595 AND USES THEREOF SUNESIS PHARMACEUTICALS INC (US) 2011-01-05 EP disclosed
WO-2010099526-A1 METHODS OF USING SNS-595 FOR TREATMENT OF CANCER SUBJECTS WITH REDUCED BRCA2 ACTIVITY SUNESIS PHARMACEUTICALS, INC. (US) 2010-09-02 WO 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
WO-2010078294-A1 METHOD OF PREPARING (+)-1,4-DIHYDRO-7-[(3S,4S)-3METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID SUNESIS PHARMACEUTICAL, INC. (US) 2010-07-08 WO disclosed
US-20100029708-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2009075841-A2 METHODS OF USING (+)-1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID FOR TREATMENT OF ANTECEDENT HEMATOLOGIC DISORDERS SUNESIS PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed
WO-2009054935-A1 METHODS OF USING (+)-1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID IN COMBINATION THERAPY SUNESIS PHARMACEUTICALS, INC. (US) 2009-04-30 WO disclosed
WO-2008016702-A2 COMBINED USE OF (+)-1,4-DIHYDRO-7-[(3S,4S)-3-METHOXY-4-(METHYLAMINO)-1-PYRROLIDINYL]-4-OXO-1(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC SUNESIS PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-2008016678-A2 PHARMACEUTICAL DOSAGE FORMS FOR (+)-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) 2008-02-07 WO 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-20150150858-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES LMNA 546/4885KMT2A 3277/4885MEN1 325/4885
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 LMNA 961/4885KMT2A 2993/4885MEN1 610/4885
US-20120245198-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES LMNA 546/4885KMT2A 3277/4885MEN1 325/4885
US-20140378505-A1 SNS-595 AND METHODS OF USING THE SAME NT5E, NOP56, MSN LMNA 3144/4885KMT2A 1982/4885MEN1 746/4885
US-20170101404-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES LMNA 546/4885KMT2A 3277/4885MEN1 325/4885
US-20100029708-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES LMNA 546/4885KMT2A 3277/4885MEN1 325/4885

“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.