Sugi Predict

Sugi Predict / Compounds / SCHEMBL4481173

SCHEMBL4481173

SCHEMBL4481173

Cc1c(C(=O)c2sc(NC3CCOC3=O)c(C#N)c2N)cnn1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SLC9A1 P19634 1/20 0.37
▸ SLC9A2 Q9UBY0 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36
▸ MELK Q14680 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ PKM P14618 2/20 0.36

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
SCHEMBL4475799 0.88 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4477733 0.86 MAPK1 (0.45) ALDH1A1POLBMAPTGAAPTGS2
SCHEMBL4477479 0.81 ALDH1A1 (0.44) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4485872 0.80 ALDH1A1 (0.45) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4484007 0.79 ALDH1A1 (0.46) ALDH1A1POLBMAPTGAAHPGD
SCHEMBL13638727 0.79 MAPK11 (0.41) PTGS2ROCK2HPGDNPC1RAB9A
SCHEMBL4476394 0.78 ALDH1A1 (0.44) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4478053 0.78 ALDH1A1 (0.42) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4476979 0.78 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAAMAPK1
SCHEMBL4473958 0.77 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAAHPGD

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 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.