Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476876

SCHEMBL4476876

SCHEMBL4476876

N#Cc1c(NCCN2CCCCC2)sc(C(=O)c2csc3ccccc23)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.49
▸ CYP1A2 P05177 4/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HTR7 P34969 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ IKBKB O14920 1/20 0.39
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38

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
SCHEMBL4469965 0.84 MELK (0.55) MELKALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL4465812 0.83 MELK (0.51) MELKALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL4467358 0.81 MELK (0.54) MELKALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL4477647 0.79 MELK (0.54) MELKALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL4489027 0.78 MELK (0.49) MELKALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL4474435 0.78 ALDH1A1 (0.43) MELKALDH1A1CYP1A2HSD17B10HTR7
SCHEMBL13638658 0.77 MELK (0.45) MELKALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL4479367 0.77 MELK (0.54) MELKALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL4472471 0.77 MELK (0.51) MELKALDH1A1CYP1A2MAPTCYP2C19
SCHEMBL4487291 0.77 MELK (0.51) MELKALDH1A1CYP1A2MAPTCYP2C19

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 8 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-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.