SCHEMBL13434883

SCHEMBL13434883

c1ccc(OC2CCNC2)c(Nc2ncnc3ccsc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
FADS1 O60427 1/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
FLT1 P17948 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
HSP90AB1 P08238 2/20 0.39
TOP2A P11388 2/20 0.39
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
TEK Q02763 1/20 0.39
PRKCI P41743 3/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
HTR2C P28335 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
SCHEMBL3798459 0.83 MEN1 (0.49) EGFRFADS1HTR1ASLC6A2IRAK4
SCHEMBL13434925 0.81 MKNK1 (0.44) EGFRFADS1PDE4APDE4BPDE4C
SCHEMBL29808719 0.81 MKNK1 (0.44) EGFRFADS1PDE4APDE4BPDE4C
SCHEMBL3796453 0.77 HSP90AB1 (0.43) EGFRHTR1ASLC6A2IRAK4HSP90AB1
SCHEMBL5313425 0.76 HTT (0.56) EGFRFADS1FLT1PDE4APDE4B
SCHEMBL13434886 0.76 EGFR (0.46) EGFRIRAK4PIP4K2CCHRNA7HTR3A
SCHEMBL13434845 0.74 HTT (0.63) EGFRFADS1PDE4APDE4BPDE4C
SCHEMBL15428428 0.74 MKNK2 (0.63) EGFRFADS1AURKAAURKBTEK
Hydrochloric Acid SCHEMBL4720498 0.71 IRAK4 (0.61) IRAK4PRKCI
SCHEMBL14394421 0.70 HTR1A (0.39) HTR1ASLC6A2HSP90AB1TOP2AHTR2C

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
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
US-8633201-B2 Thienopyrimidines having Mnk1/Mnk2 inhibiting activity for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed
EP-2004656-B1 THIENOPYRIMIDINES HAVING MNK1 /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2013-07-10 EP disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
US-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-03-04 US disclosed
WO-2007115822-A1 THIENOPYRIMIDINES HAVING MNKL /MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-10-18 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-20100056548-A1 THIENOPYRIMIDINES HAVING MNK1/MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS CMPK1, DTYMK, NEK9 EGFR 4110/4885FADS1 3272/4885HTR1A 3463/4885

“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.