SCHEMBL2391270

SCHEMBL2391270

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
ACHE P22303 1/20 0.37
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
HSPB1 P04792 1/20 0.35
MAPK1 P28482 1/20 0.35
SCD O00767 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL16908828 1.00 MAPT (0.40) MAPTALDH1A1TDP1ATMSMN1; SMN2
SCHEMBL12256706 0.93 TDP1 (0.42) MAPTALDH1A1TDP1ATMSMN1; SMN2
SCHEMBL12256688 0.93 TDP1 (0.42) MAPTALDH1A1TDP1ATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL14348239 0.92 ALDH1A1 (0.39) MAPTALDH1A1TDP1SMN1; SMN2FAAH
Hydrochloric Acid SCHEMBL2369736 0.91 TDP1 (0.41) MAPTALDH1A1TDP1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL2369295 0.91 TDP1 (0.41) MAPTALDH1A1TDP1ATMSMN1; SMN2
Hydrochloric Acid SCHEMBL2369299 0.91 TDP1 (0.41) MAPTALDH1A1TDP1ATMSMN1; SMN2
SCHEMBL2391139 0.86 ALDH1A1 (0.47) MAPTALDH1A1TDP1SMN1; SMN2FAAH
SCHEMBL25346294 0.84 TDP1 (0.51) MAPTALDH1A1TDP1ATMSMN1; SMN2
SCHEMBL2370254 0.82 TDP1 (0.44) MAPTALDH1A1TDP1ATMFAAH

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
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
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 MAPT 2378/4885ALDH1A1 4123/4885TDP1 508/4885

“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.