Sugi Predict

Sugi Predict / Compounds / SCHEMBL4489027

SCHEMBL4489027

SCHEMBL4489027

Cc1c(C(=O)c2sc(NCCN3CCCCC3)c(C#N)c2N)cnn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 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
SCHEMBL4477733 0.81 MAPK1 (0.45) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4469965 0.81 MELK (0.55) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4485872 0.80 ALDH1A1 (0.45) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL13711811 0.80 ALDH1A1 (0.43) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4477647 0.79 MELK (0.54) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4467358 0.78 MELK (0.54) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4476979 0.78 ALDH1A1 (0.47) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4476876 0.78 MELK (0.52) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4474819 0.77 MELK (0.48) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4465812 0.77 MELK (0.51) MELKALDH1A1CYP1A2CYP2C19MAPT

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 9 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-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 802/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885CYP1A2 2604/4885

“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.