Sugi Predict

Sugi Predict / Compounds / SCHEMBL4473963

SCHEMBL4473963

SCHEMBL4473963

N#Cc1c(NC2CCCC2)sc(C(=O)c2cc(-c3ccc(Cl)cc3)no2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ USP30 Q70CQ3 3/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MELK Q14680 8/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 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
SCHEMBL3816421 0.93 MELK (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4469724 0.91 KMT2A (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4475686 0.91 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3824051 0.91 USP30 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4467624 0.90 USP30 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13711809 0.90 MELK (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4478960 0.89 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3816601 0.88 MEN1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4476832 0.88 USP30 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4478839 0.87 POLB (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 CYP1A2 2604/4885CYP3A4 1706/4885CYP2D6 3052/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CYP1A2 2604/4885CYP3A4 1706/4885CYP2D6 3052/4885

“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.