SCHEMBL2391267

SCHEMBL2391267

NC[C@H]1CC[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
PRKCQ Q04759 6/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
ROCK1 Q13464 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSPB1 P04792 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
Trifluoroacetic Acid SCHEMBL2388889 0.92 FAAH (0.40) TDP1ATMPRKCQHTR2AHTR2C
Hydrochloric Acid SCHEMBL2369727 0.91 PRKCQ (0.42) TDP1ATMPRKCQHTR2AHTR2C
Hydrochloric Acid SCHEMBL2369725 0.91 PRKCQ (0.42) TDP1ATMPRKCQHTR2AHTR2C
Hydrochloric Acid SCHEMBL2369289 0.91 PRKCQ (0.42) TDP1ATMPRKCQHTR2AHTR2C
SCHEMBL2379332 0.86 FAAH (0.40) TDP1ATMFAAHACHEMAPT
SCHEMBL25346294 0.84 TDP1 (0.51) TDP1ATMFAAHACHEMAPT
SCHEMBL12256912 0.84 TDP1 (0.43) TDP1ATMFAAHACHEROCK1
SCHEMBL2370254 0.82 TDP1 (0.44) TDP1ATMFAAHACHEMAPT
SCHEMBL2369697 0.81 PSEN1 (0.40) TDP1ATMFAAHACHEMAPT
SCHEMBL12256680 0.81 TDP1 (0.45) TDP1ATMFAAHACHEMAPT

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 3 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
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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 (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 408/4885PRKCQ 348/4885

“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.