SCHEMBL2406418

SCHEMBL2406418

CC(C)(C)OC(=O)N1CCC[C@H](Oc2cc(C(F)(F)F)ccc2N)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.48
CHEK2 O96017 1/20 0.45
MAPT P10636 1/20 0.45
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
USP30 Q70CQ3 2/20 0.41
SCN9A Q15858 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
STS P08842 1/20 0.40
TACR1 P25103 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40

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
SCHEMBL2406416 1.00 PDE4B (0.48) PDE4BCHEK2MAPTHDAC4HDAC6
SCHEMBL2412041 0.88 PDE4B (0.49) PDE4BCHEK2USP30SCN9AHDAC1
SCHEMBL2409128 0.88 PDE4B (0.49) PDE4BCHEK2USP30SCN9AHDAC1
SCHEMBL2409130 0.88 PDE4B (0.49) PDE4BCHEK2USP30SCN9AHDAC1
SCHEMBL2408805 0.86 LOXL2 (0.40) MAPT
SCHEMBL16476642 0.86 PDE4B (0.46) PDE4BCHEK2MAPTHDAC4HDAC6
SCHEMBL18615447 0.85 PDE4B (0.49) PDE4BMAPTUSP30SCN9AHDAC1
SCHEMBL18615672 0.85 PDE4B (0.49) PDE4BMAPTUSP30SCN9AHDAC1
SCHEMBL4877902 0.85 PDE4B (0.49) PDE4BMAPTUSP30SCN9AHDAC1
SCHEMBL12318799 0.84 PDE4B (0.45) PDE4BCHEK2MAPTHDAC4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
EP-2539346-B1 4-[HETEROCYCLOALKYLOXY(HETERO)ARYLAMINO] THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2014-04-16 EP disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648068-B2 Heterocycloalkyl-containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
WO-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 US disclosed
US-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 PDE4B 812/4885CHEK2 23/4885MAPT 2770/4885

“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.