Sugi Predict

Sugi Predict / Compounds / SCHEMBL4470846

SCHEMBL4470846

SCHEMBL4470846

CC(C)Nc1sc(C(=O)c2cc(-c3ccc(Cl)cc3)no2)c(N)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 15/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL4497311 0.91 MELK (0.56) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4480757 0.91 MELK (0.63) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4473963 0.85 CYP1A2 (0.46) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4476767 0.84 MELK (0.50) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4509611 0.83 MELK (0.56) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4473013 0.83 MELK (0.47) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4473139 0.82 MELK (0.52) MELKCYP1A2CYP2C19POLBMAPT
SCHEMBL3824968 0.81 MELK (0.46) MELKCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4473949 0.81 MELK (0.50) MELKCYP1A2CYP2C19POLBKMT2A
SCHEMBL4481103 0.80 MELK (0.44) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6

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 3735/4885SMN1; SMN2 1379/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885SMN1; SMN2 1379/4885CYP1A2 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.