Sugi Predict

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SCHEMBL4481501

SCHEMBL4481501

COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)c(C#N)c2N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ HPGD P15428 3/20 0.67
▸ ALOX12 P18054 1/20 0.67
▸ MELK Q14680 2/20 0.67
▸ MAPT P10636 9/20 0.66
▸ POLB P06746 4/20 0.64
▸ GAA P10253 2/20 0.64
▸ LMNA P02545 6/20 0.61
▸ HTT P42858 3/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ RAB9A P51151 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL632367 1.00 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL2132475 0.94 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL13633822 0.92 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL632059 0.92 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL632951 0.90 LMNA (0.70) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL2133842 0.89 MELK (0.70) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL4473082 0.89 ALDH1A1 (0.85) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL632590 0.89 MAPT (0.80) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL4473381 0.89 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1HPGDALOX12
SCHEMBL4496937 0.89 MAPT (0.80) ALDH1A1KMT2AMEN1HPGDALOX12

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 802/4885KMT2A 2234/4885MEN1 2737/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885KMT2A 2234/4885MEN1 2737/4885

“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.