SCHEMBL4487982

SCHEMBL4487982

N#Cc1c(N2CCOCC2)sc(C(=O)c2ccccc2)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.56
▸ MAPT P10636 6/20 0.56
▸ GAA P10253 2/20 0.56
▸ PIK3CA P42336 2/20 0.53
▸ HPGD P15428 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 6/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ NPSR1 Q6W5P4 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAD52 P43351 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL17237505 0.84 PIK3CA (0.51) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL17237509 0.80 PIK3CA (0.49) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL17237508 0.80 PIK3CA (0.47) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL3403839 0.79 PIK3CA (0.51) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL17237506 0.78 PIK3CA (0.48) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL8011651 0.76 PIK3CA (0.81) ALDH1A1GAAPIK3CASMN1; SMN2NPC1
SCHEMBL10288334 0.74 ALDH1A1 (0.50) ALDH1A1MAPTGAAHPGDHTT
SCHEMBL8008294 0.73 PIK3CA (0.65) ALDH1A1GAAPIK3CASMN1; SMN2NPC1
SCHEMBL8008259 0.72 PIK3CA (0.70) ALDH1A1MAPTGAAPIK3CAHPGD
SCHEMBL8005427 0.72 PIK3CA (0.64) ALDH1A1PIK3CAHPGDKDM4E

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 7 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-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-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.

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