Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472300

SCHEMBL4472300

SCHEMBL4472300

N#Cc1c(Nc2ccccc2F)sc(C(=O)c2ccccn2)c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 4/20 0.66
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ GAA P10253 1/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL4487251 0.86 LMNA (0.54) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4476839 0.84 MELK (0.70) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4473771 0.84 LMNA (0.50) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4476868 0.80 MAPT (0.57) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4477411 0.80 MAPT (0.57) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4475075 0.79 ALDH1A1 (0.59) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4500686 0.77 ALDH1A1 (0.46) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4484637 0.77 MAPT (0.51) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4484695 0.77 MELK (0.57) MELKMAPTALDH1A1LMNAHPGD
SCHEMBL4461289 0.76 BRAF (0.53) MELKMAPTALDH1A1LMNAHPGD

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 MELK 3735/4885MAPT 3524/4885ALDH1A1 802/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885MAPT 3524/4885ALDH1A1 802/4885

“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.