SCHEMBL9593170

SCHEMBL9593170

CN1C(=O)CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42

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
SCHEMBL2060750 0.88 SIRT2 (0.56) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL26621424 0.83 ALDH1A1 (0.55) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL2061996 0.82 TDP1 (0.49) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL2062235 0.79 GRIN1 (0.44) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL3041124 0.79 SIRT2 (0.63) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL3586952 0.79 ROCK1 (0.46) CASP6POLBAPEX1CTDSP1TDP1
SCHEMBL18856567 0.78 ALDH1A1 (0.53) CASP6ALDH1A1SMN1; SMN2GAACASP1
SCHEMBL28435158 0.78 GAA (0.47) ALDH1A1SMN1; SMN2GAASIRT2L3MBTL1
SCHEMBL10196915 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL2062210 0.75 ATAD2 (0.44) CASP1CASP7KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349233-B 3, 4-diphenyl-4H-1, 2, 4-triazole derivative and preparation method and application thereof 上海翰森生物医药科技有限公司 2021-06-01 CN disclosed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
US-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-03-12 US disclosed
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2019-05-23 US disclosed
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2019-03-05 US disclosed
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2017-11-09 US disclosed
US-9744176-B2 Therapeutic uses of novel thienopyrimidine derivatives SANOFI (FR) 2017-08-29 US disclosed
EP-2834248-B1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-03-16 EP disclosed
US-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-12-10 US disclosed
US-9115140-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2015-08-25 US disclosed
EP-2834248-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2015-02-11 EP disclosed
WO-2013150036-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-10 WO disclosed
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2013-10-03 US disclosed
US-5216148-A Treating, preventing neoplasms, dermatoses, aging of skin HOFFMANN-LA ROCHE INC. (US) 1993-06-01 US disclosed
EP-0504695-A1 New carboxamides, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE AG (CH) 1992-09-23 EP 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 (9 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-20150352124-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2275/4885POLB 521/4885APEX1 217/4885
US-20130261106-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2184/4885POLB 708/4885APEX1 318/4885
US-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2184/4885POLB 708/4885APEX1 318/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2218/4885POLB 810/4885APEX1 217/4885
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2184/4885POLB 708/4885APEX1 318/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR CASP6 2331/4885POLB 706/4885APEX1 425/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR CASP6 2342/4885POLB 757/4885APEX1 306/4885
US-20170319594-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR CASP6 2184/4885POLB 708/4885APEX1 318/4885
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR CASP6 2331/4885POLB 706/4885APEX1 425/4885

“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.