SCHEMBL4477085

SCHEMBL4477085

Cc1ccc(C(=O)c2sc(Nc3ccccc3)c(C#N)c2N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
POLB P06746 3/20 1.00
MAPT P10636 7/20 0.84
GAA P10253 2/20 0.84
LMNA P02545 5/20 0.79
HPGD P15428 3/20 0.72
MAPK1 P28482 2/20 0.72
HTT P42858 1/20 0.72
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
ALOX12 P18054 1/20 0.69
KDM4E B2RXH2 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
KLK7 P49862 1/20 0.63
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.54
MELK Q14680 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL632022 0.92 ALDH1A1 (1.00) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4509612 0.89 ALDH1A1 (0.86) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4496937 0.89 MAPT (0.80) ALDH1A1POLBMAPTGAALMNA
SCHEMBL632590 0.89 MAPT (0.80) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4465841 0.88 MAPT (0.84) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4469348 0.84 ALDH1A1 (0.77) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4473381 0.84 ALDH1A1 (0.80) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4484013 0.83 ALDH1A1 (0.79) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4480170 0.83 ALDH1A1 (0.70) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4512080 0.83 ALDH1A1 (0.71) ALDH1A1POLBMAPTGAALMNA

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 11 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
CN-101031293-A Pde4b inhibitors and uses therefor PLEXXIKON INC (US) 2007-09-05 CN 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 ALDH1A1 802/4885POLB 248/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885POLB 248/4885MAPT 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.