Sugi Predict

Sugi Predict / Compounds / SCHEMBL4468442

SCHEMBL4468442

SCHEMBL4468442

N#Cc1c(NCCN2CCCCC2)sc(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)no2)c1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 7/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ IKBKB O14920 4/20 0.38
▸ SIGMAR1 Q99720 4/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 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
SCHEMBL4475891 0.89 MELK (0.51) MELKCYP1A2CYP2C19IKBKBALDH1A1
SCHEMBL4467376 0.87 MELK (0.46) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4481103 0.83 MELK (0.44) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4485429 0.82 MELK (0.51) MELKCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4497311 0.81 MELK (0.56) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4469724 0.81 KMT2A (0.41) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL13711774 0.80 TSHR (0.41) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4478634 0.79 MELK (0.49) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4473013 0.79 MELK (0.47) MELKSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL4476767 0.78 MELK (0.50) 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 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 3735/4885SMN1; 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.