SCHEMBL2391245

SCHEMBL2391245

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.38
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
CDK1 P06493 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CDK3 Q00526 2/20 0.38
CDK5 Q00535 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNT1 O60563 1/20 0.38

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
SCHEMBL2391244 1.00 ALDH1A1 (0.49) ALDH1A1MAPTIDO1TDP1HTT
Trifluoroacetic Acid SCHEMBL2392333 0.94 ALDH1A1 (0.44) ALDH1A1MAPTIDO1TDP1HTT
Trifluoroacetic Acid SCHEMBL2392336 0.94 ALDH1A1 (0.44) ALDH1A1MAPTIDO1TDP1HTT
SCHEMBL2391139 0.92 ALDH1A1 (0.47) ALDH1A1MAPTIDO1TDP1HTT
SCHEMBL2379905 0.89 ALDH1A1 (0.48) ALDH1A1MAPTTDP1HTTL3MBTL1
SCHEMBL2379903 0.89 ALDH1A1 (0.48) ALDH1A1MAPTTDP1HTTL3MBTL1
SCHEMBL16908827 0.89 ALDH1A1 (0.42) ALDH1A1MAPTTDP1HTTL3MBTL1
SCHEMBL16908826 0.89 ALDH1A1 (0.42) ALDH1A1MAPTTDP1HTTL3MBTL1
SCHEMBL2380608 0.85 ALDH1A1 (0.41) ALDH1A1MAPTIDO1TDP1HTT
SCHEMBL2380298 0.85 ALDH1A1 (0.41) ALDH1A1MAPTIDO1TDP1HTT

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 ALDH1A1 4123/4885MAPT 2378/4885IDO1 3140/4885

“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.