Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477192

SCHEMBL4477192

SCHEMBL4477192

Cc1ccc(C(=O)c2sc(NC(=O)c3ccccc3C)c(C#N)c2N)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KLK7 P49862 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CISD2 Q8N5K1 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MELK Q14680 5/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL4461289 0.81 BRAF (0.53) BRAFALDH1A1POLBLMNAMAPT
SCHEMBL4475791 0.78 ALDH1A1 (0.49) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4488432 0.78 ALDH1A1 (0.64) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4510163 0.77 LMNA (0.62) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4476960 0.76 BRAF (0.62) BRAFALDH1A1POLBLMNAMAPT
SCHEMBL13708282 0.76 BRAF (0.61) BRAFALDH1A1POLBLMNAMAPT
SCHEMBL4466491 0.75 MELK (0.51) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4469431 0.74 MAPT (0.55) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4477647 0.73 MELK (0.54) ALDH1A1POLBLMNAMAPTKDM4E
SCHEMBL4484007 0.73 ALDH1A1 (0.46) ALDH1A1POLBLMNAMAPTKDM4E

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.