SCHEMBL2369715

SCHEMBL2369715

COCNC(=O)C1CCC(F)(F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
KCNH2 Q12809 3/20 0.39
GSK3B P49841 3/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 1/20 0.36
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 2/20 0.35
WNT1 P04628 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34

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
SCHEMBL1342010 0.83
SCHEMBL20474688 0.82 NAAA (0.34) GSK3BSMN1; SMN2HSD17B10NAAACYP3A4
SCHEMBL1340685 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10NAAACYP3A4KMT2A
SCHEMBL1341778 0.80 SMN1; SMN2 (0.55) SMN1; SMN2HSD17B10NAAAKMT2AMEN1
SCHEMBL1341403 0.78 NAAA (0.56) SMN1; SMN2HSD17B10NAAAKMT2AMEN1
SCHEMBL22231128 0.77 CTH (0.40) HTR1ADRD2DRD4KCNH2GSK3B
SCHEMBL23733300 0.76 KCNH2 (0.39) HTR1ADRD2DRD4KCNH2GSK3B
SCHEMBL21703346 0.76 HTR1A (0.39) HTR1ADRD2DRD4KCNH2GSK3B
SCHEMBL4257123 0.75 KDM4E (0.40) HTR1ADRD2DRD4KCNH2SMN1; SMN2
SCHEMBL2535622 0.75 GNAI3 (0.57) SMN1; SMN2HSD17B10NAAACYP3A4KMT2A

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 5 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
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
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 (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 HTR1A 3458/4885DRD2 4592/4885DRD4 4785/4885

“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.