SCHEMBL4461289

SCHEMBL4461289

Cc1ccccc1C(=O)Nc1sc(C(=O)c2ccccn2)c(N)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
MELK Q14680 10/20 0.44
GRM4 Q14833 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4477192 0.81 BRAF (0.54) BRAFALDH1A1POLBMAPTGAA
SCHEMBL4476960 0.79 BRAF (0.62) BRAFALDH1A1POLBMAPTGAA
SCHEMBL4473771 0.78 LMNA (0.50) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4500686 0.78 ALDH1A1 (0.46) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4487251 0.76 LMNA (0.54) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4476868 0.76 MAPT (0.57) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4472300 0.76 MELK (0.66) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4476362 0.74 MELK (0.48) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4477411 0.74 MAPT (0.57) ALDH1A1POLBMAPTGAAMELK
SCHEMBL4475075 0.73 ALDH1A1 (0.59) ALDH1A1POLBMAPTGAAMELK

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 BRAF 1936/4885ALDH1A1 802/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A BRAF 1936/4885ALDH1A1 802/4885POLB 248/4885

“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.