SCHEMBL2369462

SCHEMBL2369462

Nc1ccc(F)cc1O[C@@H]1CCC[C@@H](O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 3/20 0.38
MCHR1 Q99705 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HDAC2 Q92769 2/20 0.34
EIF4E P06730 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
KEAP1 Q14145 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL12290321 1.00 FURIN (0.38) FURINMCHR1ALDH1A1HDAC2EIF4E
SCHEMBL2369465 1.00 FURIN (0.38) FURINMCHR1ALDH1A1HDAC2EIF4E
SCHEMBL2369457 1.00 FURIN (0.38) FURINMCHR1ALDH1A1HDAC2EIF4E
SCHEMBL2379854 0.91 ALDH1A1 (0.36) MCHR1ALDH1A1HDAC2MKNK1MKNK2
SCHEMBL2393556 0.86 ALDH1A1 (0.37) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL12256799 0.86 ALDH1A1 (0.37) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL12256793 0.86 ALDH1A1 (0.37) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL2393553 0.86 ALDH1A1 (0.37) ALDH1A1KEAP1SLC5A1SLC5A2HTR2A
SCHEMBL15534488 0.84 MCHR1 (0.42) MCHR1ALDH1A1HDAC2EIF4EMKNK1
SCHEMBL2376487 0.84 FURIN (0.37) FURINMCHR1ALDH1A1EIF4EMKNK1

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 13 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
EP-2539344-B1 HALOGEN OR CYANO SUBSTITUTED THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 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-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20130065914-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
EP-2539344-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP 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
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
WO-2011104338-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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 (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-20130065914-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS NEK2, CMPK1, NEK9 FURIN 4125/4885MCHR1 2895/4885ALDH1A1 4498/4885
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 FURIN 4654/4885MCHR1 4721/4885ALDH1A1 4123/4885

“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.