Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476823

SCHEMBL4476823

SCHEMBL4476823

Cc1sc(-c2ccccc2)cc1C(=O)c1sc(NC2CCCC2)c(C#N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ CHEK1 O14757 3/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4467363 0.83 MELK (0.59) MELKALDH1A1POLBMAPTGAA
SCHEMBL4476324 0.82 ALDH1A1 (0.58) MELKALDH1A1POLBMAPTGAA
SCHEMBL4475765 0.82 ALDH1A1 (0.65) MELKALDH1A1POLBMAPTGAA
SCHEMBL4469960 0.80 ALDH1A1 (0.47) MELKALDH1A1POLBMAPTGAA
SCHEMBL4475791 0.79 ALDH1A1 (0.49) MELKALDH1A1POLBMAPTGAA
SCHEMBL13708305 0.78 ALDH1A1 (0.43) MELKALDH1A1POLBMAPTGAA
SCHEMBL3824051 0.78 USP30 (0.44) MELKALDH1A1POLBMAPTGAA
SCHEMBL4477733 0.78 MAPK1 (0.45) MELKALDH1A1POLBMAPTGAA
SCHEMBL4486827 0.78 CCNA2 (0.64) MAPTCHEK1NPC1RAB9AMEN1
SCHEMBL4480478 0.77 ALDH1A1 (0.52) ALDH1A1POLBMAPTGAASMN1; SMN2

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 MELK 3735/4885ALDH1A1 802/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 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.