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Sugi Predict / Compounds / SCHEMBL4476854

SCHEMBL4476854

SCHEMBL4476854

COc1ccc(OC)c(C(=O)c2sc(Nc3ccc4c(c3)CCC4)c(C#N)c2N)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 2/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ POLB P06746 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TGFBR1 P36897 1/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP7 Q9BQF6 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4474711 0.94 MELK (0.47) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4487871 0.89 MAPT (0.55) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4474619 0.84 ALDH1A1 (0.56) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4469431 0.84 MAPT (0.55) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL13633907 0.81 ALDH1A1 (0.54) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL631695 0.81 ALDH1A1 (0.54) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4504289 0.80 MELK (0.55) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL2134407 0.78 MELK (0.66) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4470139 0.78 MELK (0.59) MELKMEN1KMT2AMAPTALDH1A1
SCHEMBL4466089 0.78 LMNA (0.52) MELKMAPTALDH1A1POLBHPGD

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 3735/4885MEN1 2737/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MEN1 2737/4885KMT2A 2234/4885

“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.