Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478634

SCHEMBL4478634

SCHEMBL4478634

CCOC(=O)c1cc(C(=O)c2sc(NCCN3CCCCC3)c(C#N)c2N)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 8/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4477072 0.81 MAPK1 (0.41) MELKALDH1A1MAPK1POLBRAB9A
SCHEMBL4475891 0.81 MELK (0.51) MELKALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL4468442 0.79 MELK (0.49) MELKALDH1A1POLBRAB9AKMT2A
SCHEMBL4467376 0.78 MELK (0.46) MELKALDH1A1POLBRAB9AKMT2A
SCHEMBL4489057 0.78 MELK (0.45) MELKALDH1A1MAPK1POLBRAB9A
SCHEMBL4478561 0.76 L3MBTL1 (0.41) MELKALDH1A1MAPK1POLBRAB9A
SCHEMBL4476960 0.76 BRAF (0.62) MELKALDH1A1MAPK1POLBRAB9A
SCHEMBL4467358 0.76 MELK (0.54) MELKALDH1A1KMT2AMEN1MAPT
SCHEMBL4477647 0.75 MELK (0.54) MELKALDH1A1POLBKMT2AMEN1
SCHEMBL4474819 0.75 MELK (0.48) MELKALDH1A1POLBKMT2AMEN1

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 802/4885MAPK1 2364/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885MAPK1 2364/4885

“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.