SCHEMBL563537

SCHEMBL563537

O=[N+]([O-])c1ccc(F)cc1OC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.46
BCL6 P41182 3/20 0.45
BCOR Q6W2J9 3/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SCD O00767 1/20 0.41
SYK P43405 1/20 0.41
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HSPB1 P04792 2/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29396744 1.00 TDP1 (0.46) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL2408062 0.92 TDP1 (0.44) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL2406999 0.92 TDP1 (0.44) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL2407002 0.92 TDP1 (0.44) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL25346294 0.91 TDP1 (0.51) TDP1ATMALDH1A1SCDHSPB1
SCHEMBL2069831 0.88 TDP1 (0.49) TDP1ATMALDH1A1SCDHSPB1
SCHEMBL31405574 0.87 TDP1 (0.47) TDP1ATMALDH1A1SCDHSPB1
SCHEMBL2406582 0.85 EIF4E (0.43) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL2409593 0.85 EIF4E (0.43) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL2406590 0.85 EIF4E (0.43) TDP1ATMALDH1A1BCL6BCOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110467637-B Bisaminyl chloropyrimidine compound containing phosphine oxide substituted aniline, preparation method and application thereof 北京赛特明强医药科技有限公司 2022-02-18 CN disclosed
EP-2331551-B1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2016-06-29 EP disclosed
EP-2331551-B1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS EVOTEC INTERNAT GMBH (DE) 2016-06-29 EP disclosed
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8557805-B2 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-15 US disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-8486953-B2 Thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2371826-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-10-05 EP disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
EP-2331551-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 WO disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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 (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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 TDP1 432/4885ATM 532/4885ALDH1A1 4212/4885
US-20120128686-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK TDP1 375/4885ATM 565/4885ALDH1A1 3553/4885
US-20120035163-A1 NOVEL FUSED RING COMPOUND AND USE THEREOF GPR119, GCKR, SLC5A1 TDP1 3718/4885ATM 2440/4885ALDH1A1 351/4885

“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.