Sugi Predict

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SCHEMBL4472364

SCHEMBL4472364

N#Cc1c(NCC2CCCO2)sc(C(=O)c2ccc(-c3ccccn3)s2)c1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 15/20 0.46
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4469248 0.81 MELK (0.52) MELKMAPTKMT2AMEN1ALDH1A1
SCHEMBL4482484 0.79 MELK (0.58) MELKMAPTKMT2AMEN1ALDH1A1
SCHEMBL4469448 0.79 MELK (0.45) MELKMAPTKMT2AMEN1ALDH1A1
SCHEMBL4470845 0.75 MELK (0.53) MELKMAPTPOLBALDH1A1HTT
SCHEMBL4485872 0.75 ALDH1A1 (0.45) MELKMAPTPOLBKMT2AMEN1
SCHEMBL4476839 0.74 MELK (0.70) MELKMAPTPOLBKMT2AMEN1
SCHEMBL4480522 0.74 MAPT (0.48) MELKMAPTPOLBKMT2AMEN1
SCHEMBL4473291 0.74 MELK (0.47) MELKMAPTPOLBKMT2AMEN1
SCHEMBL4470254 0.73 ALDH1A1 (0.54) MELKMAPTPOLBKMT2AMEN1
SCHEMBL4466279 0.73 MAPT (0.54) MELKMAPTPOLBKMT2AMEN1

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 3735/4885MAPT 3524/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MAPT 3524/4885POLB 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.