Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473958

SCHEMBL4473958

SCHEMBL4473958

Cc1onc(-c2ccccc2)c1C(=O)c1sc(NC2CCOC2=O)c(C#N)c1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HTT P42858 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 5/20 0.47
▸ POLB P06746 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ KCNH2 Q12809 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.38

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
SCHEMBL4461240 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10HTTKDM4EMAPT
SCHEMBL4480478 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10HTTKDM4EMAPT
SCHEMBL4476394 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HTTMAPTPOLB
SCHEMBL4484695 0.78 MELK (0.57) ALDH1A1HSD17B10HTTKDM4EMAPT
SCHEMBL4477479 0.77 ALDH1A1 (0.44) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL4472280 0.77 ALDH1A1 (0.53) ALDH1A1HSD17B10HTTKDM4EMAPT
SCHEMBL4481173 0.77 ALDH1A1 (0.41) ALDH1A1HTTMAPTPOLBGAA
SCHEMBL4478053 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10HTTMAPTPOLB
SCHEMBL4472091 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10HTTKDM4EMAPT
SCHEMBL4484007 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTPOLBGAA

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 802/4885HSD17B10 150/4885HTT 2971/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885HSD17B10 150/4885HTT 2971/4885

“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.