SCHEMBL2402576

SCHEMBL2402576

CC(CNC(=O)O)Oc1cc(F)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
MKNK2 Q9HBH9 14/20 0.40
KEAP1 Q14145 1/20 0.40
MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL2368982 0.88 MKNK2 (0.41) MKNK2KEAP1
SCHEMBL2368790 0.84 MKNK2 (0.52) MTNR1AMTNR1BMKNK2
SCHEMBL20337804 0.82 MTNR1A (0.42) MTNR1AMTNR1BMKNK2
SCHEMBL20337803 0.82 MTNR1A (0.42) MTNR1AMTNR1BMKNK2
SCHEMBL20337805 0.82 MTNR1A (0.42) MTNR1AMTNR1BMKNK2
Hydrochloric Acid SCHEMBL20359067 0.81 MTNR1A (0.41) MTNR1AMTNR1BMKNK2
Hydrochloric Acid SCHEMBL20359065 0.81 MTNR1A (0.41) MTNR1AMTNR1BMKNK2
Hydrochloric Acid SCHEMBL20359062 0.81 MTNR1A (0.41) MTNR1AMTNR1BMKNK2
SCHEMBL2405657 0.80 ALDH1A1 (0.49) MTNR1AMTNR1B
SCHEMBL2369150 0.77 MAPT (0.41) KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853193-B2 Thienopyrimidines containing a substituted alkyl group for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 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
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
US-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP 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-20110212103-A1 THIENOPYRIMIDINES CONTAINING A SUBSTITUTED ALKYL GROUP FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK2 MTNR1A 2065/4885MTNR1B 976/4885MKNK2 28/4885

“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.