Sugi Predict

Sugi Predict / Compounds / SCHEMBL4747706

SCHEMBL4747706

SCHEMBL4747706

Cc1ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c2c1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TOP2A P11388 9/20 0.35
▸ TOP2B Q02880 9/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ SLC47A1 Q96FL8 1/20 0.33

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
SCHEMBL4747728 0.85 CYP3A4 (0.52) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL4747726 0.83 CYP3A4 (0.48) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL4747734 0.83 TOP2A (0.44) KDM4ESMN1; SMN2CYP1A2TOP2ATOP2B
SCHEMBL4747704 0.81 CYP3A4 (0.60) CYP3A4KDM4ESMN1; SMN2CYP1A2KCNH2
SCHEMBL13341758 0.80 TOP2A (0.45) KDM4ESMN1; SMN2CYP1A2TOP2ATOP2B
SCHEMBL2082062 0.79 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL27511886 0.79 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL2082061 0.79 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL4747718 0.78 CYP3A4 (0.51) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A
SCHEMBL2670607 0.78 CYP3A4 (0.44) CYP3A4KDM4ESMN1; SMN2CYP1A2TOP2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KDM4E 1244/4885SMN1; SMN2 3878/4885

“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.