Sugi Predict

Sugi Predict / Compounds / SCHEMBL4467376

SCHEMBL4467376

SCHEMBL4467376

N#Cc1c(NCCN2CCCCC2)sc(C(=O)c2cc(-c3ccc(Cl)cc3Cl)no2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 8/20 0.46
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ IKBKB O14920 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4468442 0.87 MELK (0.49) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4475891 0.85 MELK (0.51) MELKCYP1A2CYP2C19MAPTIKBKB
SCHEMBL4478960 0.81 CYP1A2 (0.46) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13711812 0.80 CYP1A2 (0.41) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4479367 0.80 MELK (0.54) MELKCYP1A2CYP2C19CYP3A4POLB
SCHEMBL4478634 0.78 MELK (0.49) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4485429 0.78 MELK (0.51) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4479358 0.77 KMT2A (0.49) MELKCYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL4469965 0.76 MELK (0.55) MELKCYP1A2CYP2C19CYP3A4KMT2A
SCHEMBL4467358 0.72 MELK (0.54) MELKCYP1A2CYP2C19CYP3A4KMT2A

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 9 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-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 3735/4885CYP1A2 2604/4885CYP2C19 3606/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885CYP1A2 2604/4885CYP2C19 3606/4885

“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.