SCHEMBL4487251

SCHEMBL4487251

CCc1ccccc1Nc1sc(C(=O)c2ccccn2)c(N)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 6/20 0.49
MAPT P10636 6/20 0.49
GAA P10253 1/20 0.49
MELK Q14680 6/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
MEN1 O00255 1/20 0.43
ALOX12 P18054 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL4472300 0.86 MELK (0.66) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4470845 0.85 MELK (0.53) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4473771 0.84 LMNA (0.50) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4476868 0.80 MAPT (0.57) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4477411 0.78 MAPT (0.57) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4475075 0.77 ALDH1A1 (0.59) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4479525 0.77 LMNA (0.49) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4466089 0.76 LMNA (0.52) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4465938 0.76 LMNA (0.52) LMNAALDH1A1MAPTGAAMELK
SCHEMBL4461289 0.76 BRAF (0.53) LMNAALDH1A1MAPTGAAMELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 US 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 (2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A LMNA 2349/4885ALDH1A1 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A LMNA 2349/4885ALDH1A1 802/4885MAPT 3524/4885

“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.