SCHEMBL1936874

SCHEMBL1936874

COC(=O)N1Cc2sccc2C(Cl)=C1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.34
THRB P10828 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2B6 P20813 1/20 0.34
DRD1 P21728 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34
KCNH2 Q12809 1/20 0.34
P2RY12 Q9H244 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 7/20 0.33
MEN1 O00255 5/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 4/20 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
SCHEMBL2383675 0.87 HSD17B10 (0.36) CYP2C19KMT2AMEN1POLBSMN1; SMN2
SCHEMBL16136745 0.83 GSK3B (0.33)
SCHEMBL2381115 0.82 THRB (0.32) ABCB11THRBNR1I2CHRM2ADRA2A
SCHEMBL2437291 0.70 KDM4E (0.35) KDM4EKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL4751608 0.62 MAPT (0.44) CYP2C19KDM4EKMT2AMEN1POLB
SCHEMBL2444509 0.61 P2RX4 (0.35) ABCB11THRBNR1I2CHRM2ADRA2A
SCHEMBL16861313 0.58
SCHEMBL11923827 0.57 ALDH1A1 (0.39) CHRM2ADRA2ADRD1HTR2ASLC6A4
SCHEMBL1954816 0.56 P2RX4 (0.47) CYP2C19KDM4EKMT2AMEN1POLB
SCHEMBL16861351 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2539346-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES 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-2011104337-A1 HETEROCYCLOALKYL-CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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
EP-2331551-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010023181-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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 ABCB11 1901/4885THRB 1056/4885NR1I2 2847/4885

“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.