Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477072

SCHEMBL4477072

SCHEMBL4477072

CCOC(=O)c1cc(C(=O)c2sc(NC3CCCC3)c(C#N)c2N)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MELK Q14680 9/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL4476155 0.88 MELK (0.41) RAB9AMELKALDH1A1HSD17B10MAPT
SCHEMBL4478561 0.87 L3MBTL1 (0.41) MAPK1RAB9APOLBMEN1KMT2A
SCHEMBL4483218 0.86 MELK (0.46) RAB9APOLBMELKALDH1A1TSHR
SCHEMBL4483228 0.86 MELK (0.40) RAB9APOLBMELKALDH1A1HSD17B10
SCHEMBL4472384 0.85 NPC1 (0.43) RAB9AMEN1KMT2AMELKALDH1A1
SCHEMBL4475106 0.83 MELK (0.43) POLBMEN1KMT2AMELKALDH1A1
SCHEMBL4468184 0.82 ALDH1A1 (0.50) MAPK1RAB9APOLBMEN1KMT2A
SCHEMBL4478634 0.81 MELK (0.49) MAPK1RAB9APOLBMEN1KMT2A
SCHEMBL4467466 0.81 SMN1; SMN2 (0.40) MAPK1RAB9AMEN1KMT2AMELK
SCHEMBL4476960 0.80 BRAF (0.62) MAPK1RAB9APOLBMEN1KMT2A

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 MAPK1 2364/4885RAB9A 1343/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MAPK1 2364/4885RAB9A 1343/4885POLB 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.