SCHEMBL5432017

SCHEMBL5432017

COc1cccc(CNc2ncnc3sc(C(C)C)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGFR P00533 7/20 0.55
PDE5A O76074 1/20 0.55
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53
CLK4 Q9HAZ1 3/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
ICAM1 P05362 1/20 0.50
SELE P16581 1/20 0.50
VCAM1 P19320 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL5426357 0.83 ICAM1 (0.73) HTTMAPK1SMN1; SMN2EGFRPDE5A
SCHEMBL5438609 0.82 ICAM1 (0.60) HTTMAPK1SMN1; SMN2EGFRPDE5A
SCHEMBL27697469 0.80 NPC1 (0.49) HTTSMN1; SMN2EGFRAURKARPS6KB1
SCHEMBL5423720 0.79 NPC1 (0.55) HTTMAPK1SMN1; SMN2AURKARPS6KB1
SCHEMBL5429306 0.76 EGFR (0.53) HTTMAPK1EGFRLMNAICAM1
SCHEMBL4868121 0.76 MAPK1 (0.74) HTTMAPK1SMN1; SMN2EGFRPDE5A
SCHEMBL3345323 0.73 TP53 (0.60) HTTMAPK1SMN1; SMN2EGFRPDE5A
SCHEMBL5435674 0.73 ICAM1 (0.60) HTTMAPK1SMN1; SMN2LMNATP53
SCHEMBL21541991 0.72 APP (0.62) HTTMAPK1SMN1; SMN2EGFRMEN1
SCHEMBL6833333 0.71 EGFR (1.00) HTTMAPK1SMN1; SMN2EGFRPDE5A

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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
CN-101061122-A Novel thieno-pyridine and thieno-pyrimidine derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
EP-1799687-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 EP disclosed
WO-2006030031-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 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-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 HTT 2147/4885MAPK1 1760/4885SMN1; SMN2 2102/4885

“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.