Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473330

SCHEMBL4473330

SCHEMBL4473330

COc1ccc(C(=O)c2sc(NC3CCCC3)c(C#N)c2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 5/20 0.70
▸ ALDH1A1 P00352 8/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 6/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ KLK7 P49862 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 5/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL4488949 0.97 MELK (0.71) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4473846 0.89 ALDH1A1 (0.55) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4471658 0.87 MAPT (0.57) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4475765 0.87 ALDH1A1 (0.65) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4476324 0.85 ALDH1A1 (0.58) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4475879 0.85 MELK (0.52) MELKMEN1KMT2AGAA
SCHEMBL4504289 0.85 MELK (0.55) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4487948 0.82 ALDH1A1 (0.47) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL2132475 0.81 ALDH1A1 (0.74) MELKALDH1A1POLBMAPTCYP1A2
SCHEMBL4475791 0.80 ALDH1A1 (0.49) MELKALDH1A1POLBMAPTCYP1A2

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.