Sugi Predict

Sugi Predict / Compounds / SCHEMBL4471685

SCHEMBL4471685

SCHEMBL4471685

COc1ccc(CNc2sc(C(=O)c3cnn(-c4ccccc4)c3C)c(N)c2C#N)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MELK Q14680 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 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
SCHEMBL4488380 0.82 MELK (0.52) MELKALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL4475851 0.80 MELK (0.54) MELKALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL4478111 0.80 MELK (0.51) NPC1RAB9AMELKALDH1A1CYP1A2
SCHEMBL4479398 0.80 RAB9A (0.56) NPC1RAB9AMELKALDH1A1HPGD
SCHEMBL4472002 0.79 ALDH1A1 (0.46) NPC1RAB9AMELKALDH1A1HPGD
SCHEMBL4487008 0.78 ALDH1A1 (0.51) MELKALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL4489027 0.77 MELK (0.49) NPC1RAB9AMELKALDH1A1CYP1A2
SCHEMBL4477646 0.76 MELK (0.44) NPC1RAB9AMELKALDH1A1CYP1A2
SCHEMBL4476979 0.76 ALDH1A1 (0.47) NPC1RAB9AMELKALDH1A1CYP1A2
SCHEMBL4477733 0.76 MAPK1 (0.45) NPC1RAB9AMELKALDH1A1CYP1A2

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 NPC1 2068/4885RAB9A 1343/4885MELK 3735/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A NPC1 2068/4885RAB9A 1343/4885MELK 3735/4885

“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.