Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478839

SCHEMBL4478839

SCHEMBL4478839

N#Cc1c(NC2CCCC2)sc(C(=O)c2cc(-c3c(Cl)cccc3Cl)no2)c1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MELK Q14680 12/20 0.42
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GSK3B P49841 2/20 0.35

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
SCHEMBL4469724 0.87 KMT2A (0.41) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4473963 0.87 CYP1A2 (0.46) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3824051 0.87 USP30 (0.44) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4478960 0.86 CYP1A2 (0.46) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4467624 0.86 USP30 (0.43) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3816421 0.85 MELK (0.41) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4476832 0.84 USP30 (0.46) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4475686 0.83 ALDH1A1 (0.45) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13711809 0.82 MELK (0.39) POLBKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4475106 0.82 MELK (0.43) POLBKMT2ACYP1A2CYP3A4CYP2D6

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 POLB 248/4885KMT2A 2234/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A POLB 248/4885KMT2A 2234/4885CYP1A2 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.