SCHEMBL2407372

SCHEMBL2407372

CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
BTK Q06187 2/20 0.44
CHEK2 O96017 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
BRD3 Q15059 2/20 0.42
MAPT P10636 2/20 0.41
SCN9A Q15858 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 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
SCHEMBL2405553 1.00 PDE4B (0.46) PDE4BBTKCHEK2GPR119BRD3
SCHEMBL2405552 1.00 PDE4B (0.46) PDE4BBTKCHEK2GPR119BRD3
SCHEMBL2407379 0.94 GPR119 (0.48) PDE4BGPR119BRD3MAPTCCNT1
SCHEMBL2407380 0.94 GPR119 (0.48) PDE4BGPR119BRD3MAPTCCNT1
SCHEMBL2406667 0.89 PDE4B (0.47) PDE4BBTKCHEK2GPR119MAPT
SCHEMBL2406669 0.89 PDE4B (0.47) PDE4BBTKCHEK2GPR119MAPT
SCHEMBL2406983 0.89 PDE4B (0.45) PDE4BBTKCHEK2GPR119MAPT
SCHEMBL2406985 0.89 PDE4B (0.45) PDE4BBTKCHEK2GPR119MAPT
SCHEMBL2406012 0.88 PDE4B (0.46) PDE4BBTKCHEK2MAPTALDH1A1
SCHEMBL2406011 0.88 PDE4B (0.46) PDE4BBTKCHEK2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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
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 (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-20110212102-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, TNK2, CMPK1 PDE4B 812/4885BTK 911/4885CHEK2 23/4885
US-20130065914-A1 HALOGEN OR CYANO SUBSTITUTED THIENO [2,3-D]PYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS NEK2, CMPK1, NEK9 PDE4B 1182/4885BTK 797/4885CHEK2 11/4885

“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.