Sugi Predict

Sugi Predict / Compounds / SCHEMBL4478646

SCHEMBL4478646

SCHEMBL4478646

CCOC(=O)c1cc(C(=O)c2sc(Nc3cccc(SC)c3)c(C#N)c2N)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.51
▸ POLB P06746 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 6/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ MELK Q14680 3/20 0.39

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
SCHEMBL4479822 0.83 MAPT (0.51) CFTRPOLBKMT2AMAPK1MEN1
SCHEMBL4476960 0.79 BRAF (0.62) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4477072 0.77 MAPK1 (0.41) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4476980 0.77 ALDH1A1 (0.74) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4471400 0.76 MAPT (0.55) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4469250 0.76 ALDH1A1 (0.60) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4496773 0.76 KMT2A (0.48) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4489057 0.76 MELK (0.45) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4478561 0.74 L3MBTL1 (0.41) POLBKMT2AMAPK1MEN1RAB9A
SCHEMBL4478634 0.74 MELK (0.49) POLBKMT2AMAPK1MEN1RAB9A

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 CFTR 231/4885POLB 248/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A CFTR 231/4885POLB 248/4885KMT2A 2234/4885

“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.