SCHEMBL2369459

SCHEMBL2369459

COC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SCD O00767 1/20 0.40
PDE5A O76074 1/20 0.39
HSPB1 P04792 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL2369463 1.00 TDP1 (0.45) TDP1ATMMAPTALDH1A1SCD
SCHEMBL25346294 0.93 TDP1 (0.51) TDP1ATMMAPTALDH1A1SCD
SCHEMBL12256803 0.89 TDP1 (0.45) TDP1ATMMAPTALDH1A1HSPB1
SCHEMBL2369115 0.89 TDP1 (0.45) TDP1ATMMAPTALDH1A1HSPB1
SCHEMBL25344826 0.89 TDP1 (0.45) TDP1ATMMAPTALDH1A1HSPB1
SCHEMBL2369118 0.89 TDP1 (0.45) TDP1ATMMAPTALDH1A1HSPB1
Ammonia Solution, Strong SCHEMBL2379552 0.88 TDP1 (0.44) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2069831 0.87 TDP1 (0.49) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369476 0.87 TDP1 (0.41) TDP1ATMMAPTALDH1A1SCD
SCHEMBL2369473 0.87 TDP1 (0.41) TDP1ATMMAPTALDH1A1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 US disclosed
WO-2011104334-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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 (1 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 TDP1 508/4885ATM 408/4885MAPT 2378/4885

“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.