SCHEMBL10072565

SCHEMBL10072565

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

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
MAPK10 P53779 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOR2 Q9Y618 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
SCHEMBL19039323 0.91 HTR3A (0.31) HTR3AALDH1A1
SCHEMBL9927991 0.91 HTR3A (0.31) HTR3AALDH1A1
SCHEMBL15942719 0.88 KDM4C (0.32) HTR3AALDH1A1KMT2A
SCHEMBL12458625 0.88 EPHA2 (0.35) HTR3AALDH1A1KMT2A
SCHEMBL761442 0.88 KDM4E (0.30) ALDH1A1KMT2A
SCHEMBL10072567 0.86 HTR3A (0.31) HTR3AALDH1A1
SCHEMBL13212356 0.85 CHRNA7 (0.34) HTR3AALDH1A1PPARGMAPK10KMT2A
SCHEMBL761449 0.84 ALDH1A1 (0.34) HTR3AALDH1A1PPARGMAPK10KMT2A
SCHEMBL12633515 0.83 CHRNA7 (0.33) HTR3AALDH1A1
SCHEMBL13212352 0.81 ALDH1A1 (0.32) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20150157614-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. 2015-06-11 US disclosed
US-20150150858-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS, INC. 2015-06-04 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-8765954-B2 1,8-naphthyridine compounds for the treatment of cancer SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-01 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-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
US-20100029708-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER SUNESIS PHARMACEUTICALS, INC. 2010-02-04 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 (7 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-20150157614-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 HTR3A 513/4885ALDH1A1 66/4885PPARG 690/4885
US-20150150858-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES HTR3A 2134/4885ALDH1A1 2487/4885PPARG 756/4885
US-20120245198-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES HTR3A 2134/4885ALDH1A1 2487/4885PPARG 756/4885
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 HTR3A 513/4885ALDH1A1 66/4885PPARG 690/4885
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 HTR3A 472/4885ALDH1A1 78/4885PPARG 718/4885
US-20170101404-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES HTR3A 2134/4885ALDH1A1 2487/4885PPARG 756/4885
US-20100029708-A1 COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF CANCER NTPCR, NNMT, NES HTR3A 2134/4885ALDH1A1 2487/4885PPARG 756/4885

“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.