Sugi Predict

Sugi Predict / Compounds / SCHEMBL4485872

SCHEMBL4485872

SCHEMBL4485872

Cc1c(C(=O)c2sc(NCC3CCCO3)c(C#N)c2N)cnn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.45
▸ HPGD P15428 6/20 0.45
▸ POLB P06746 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ GLA P06280 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MELK Q14680 1/20 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
SCHEMBL4477733 0.83 MAPK1 (0.45) ALDH1A1HPGDPOLBNPC1MAPK1
SCHEMBL4489027 0.80 MELK (0.49) ALDH1A1HPGDPOLBHSD17B10KDM4E
SCHEMBL4481173 0.80 ALDH1A1 (0.41) ALDH1A1HPGDPOLBNPC1MAPK1
SCHEMBL4476979 0.76 ALDH1A1 (0.47) ALDH1A1HPGDPOLBNPC1MAPK1
SCHEMBL4477402 0.75 MELK (0.58) ALDH1A1HPGDPOLBNPC1MAPK1
SCHEMBL4471685 0.75 NPC1 (0.48) ALDH1A1HPGDPOLBNPC1RAB9A
SCHEMBL13711811 0.75 ALDH1A1 (0.43) ALDH1A1HPGDPOLBHSD17B10KDM4E
SCHEMBL4472364 0.75 MELK (0.46) ALDH1A1POLBHSD17B10CYP1A2CYP2C19
SCHEMBL4479398 0.74 RAB9A (0.56) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL4472002 0.74 ALDH1A1 (0.46) ALDH1A1HPGDPOLBKDM4ENPC1

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 ALDH1A1 802/4885HPGD 319/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885HPGD 319/4885POLB 248/4885

“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.