Sugi Predict

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SCHEMBL4469960

SCHEMBL4469960

N#Cc1c(NC2CCCC2)sc(C(=O)c2ccccc2Cl)c1N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 5/20 0.47
▸ GAA P10253 1/20 0.47
▸ MELK Q14680 11/20 0.45
▸ POLB P06746 2/20 0.45
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4475765 0.84 ALDH1A1 (0.65) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4471658 0.83 MAPT (0.57) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4477479 0.82 ALDH1A1 (0.44) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4474435 0.82 ALDH1A1 (0.43) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4470312 0.81 MAPT (0.51) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4476324 0.81 ALDH1A1 (0.58) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4476823 0.80 MELK (0.46) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4475791 0.80 ALDH1A1 (0.49) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4500686 0.80 ALDH1A1 (0.46) ALDH1A1MAPTGAAMELKPOLB
SCHEMBL4477733 0.79 MAPK1 (0.45) ALDH1A1MAPTGAAMELKPOLB

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 802/4885MAPT 3524/4885GAA 77/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885MAPT 3524/4885GAA 77/4885

“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.