SCHEMBL2369645

SCHEMBL2369645

COC1CC(OC)CC(Oc2cc(F)ccc2N)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 10/20 0.34
SLC6A4 P31645 10/20 0.34
SLC6A3 Q01959 10/20 0.34
GLRA3 O75311 2/20 0.34
GLRB P48167 2/20 0.34
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
IDO1 P14902 1/20 0.32
SCD O00767 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
SCHEMBL12256800 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL2369647 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL25346532 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL12256886 0.89 ALDH1A1 (0.36) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL2376489 0.88 FURIN (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3SCD
SCHEMBL2380142 0.88 FURIN (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3SCD
SCHEMBL2376497 0.88 FURIN (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3SCD
SCHEMBL2376487 0.88 FURIN (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3SCD
SCHEMBL2380146 0.88 FURIN (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3SCD
SCHEMBL2379911 0.87 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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 ALDH1A1 4123/4885CYP3A4 3020/4885TDP1 508/4885

“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.