SCHEMBL2407002

SCHEMBL2407002

O=[N+]([O-])c1ccc(F)cc1OC1CCOC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PDE4D Q08499 7/20 0.40
BCL6 P41182 2/20 0.39
BCOR Q6W2J9 2/20 0.39
HSPB1 P04792 2/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
MAPT P10636 1/20 0.38
NTRK1 P04629 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SCD O00767 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL2406999 1.00 TDP1 (0.44) TDP1ATMALDH1A1PDE4DBCL6
SCHEMBL2408062 1.00 TDP1 (0.44) TDP1ATMALDH1A1PDE4DBCL6
SCHEMBL2406582 0.94 EIF4E (0.43) TDP1ATMALDH1A1PDE4DBCL6
SCHEMBL2406590 0.94 EIF4E (0.43) TDP1ATMALDH1A1PDE4DBCL6
SCHEMBL2409593 0.94 EIF4E (0.43) TDP1ATMALDH1A1PDE4DBCL6
SCHEMBL29396744 0.92 TDP1 (0.46) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL563537 0.92 TDP1 (0.46) TDP1ATMALDH1A1BCL6BCOR
SCHEMBL31405574 0.90 TDP1 (0.47) TDP1ATMALDH1A1HSPB1MAPT
SCHEMBL31122699 0.89 HSPB1 (0.43) TDP1ATMPDE4DBCL6BCOR
SCHEMBL25346294 0.86 TDP1 (0.51) TDP1ATMALDH1A1HSPB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8426586-B2 Using a acyl bromine compound; activation with phosphonacetic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
CN-102869669-A Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INT 2013-01-09 CN disclosed
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
EP-2508521-A2 Method for the production of amino crotonyl compounds Boehringer Ingelheim International GmbH (DE) 2012-10-10 EP disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US 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
US-20070027170-A1 Process for preparing amino crotonyl compounds SOYKA RAINER 2007-02-01 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 (2 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-20070027170-A1 Process for preparing amino crotonyl compounds CROCC, CMA1, IL4I1 TDP1 3512/4885ATM 4030/4885ALDH1A1 681/4885
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 TDP1 432/4885ATM 532/4885ALDH1A1 4212/4885

“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.