Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476155

SCHEMBL4476155

SCHEMBL4476155

CCNC(=O)c1cc(C(=O)c2sc(NC3CCCC3)c(C#N)c2N)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ MAPK8 P45983 3/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ MAPK10 P53779 3/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ TP53 P04637 2/20 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
SCHEMBL4483228 0.94 MELK (0.40) MELKALDH1A1HSD17B10MAPK8MAPK9
SCHEMBL4472384 0.90 NPC1 (0.43) MELKALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL4483218 0.89 MELK (0.46) MELKALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL4477072 0.88 MAPK1 (0.41) MELKALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL4475106 0.84 MELK (0.43) MELKALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL4467466 0.81 SMN1; SMN2 (0.40) MELKALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3816421 0.80 MELK (0.41) MELKALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL3824051 0.80 USP30 (0.44) MELKALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL4467624 0.79 USP30 (0.43) MELKALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL4475686 0.79 ALDH1A1 (0.45) MELKALDH1A1MAPTSMN1; SMN2CYP1A2

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 802/4885HSD17B10 150/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885HSD17B10 150/4885

“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.