Sugi Predict

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SCHEMBL4249642

SCHEMBL4249642

Cc1nc2ccc(/C=C3\SC(Nc4ccc(F)cc4Cl)=NC3=O)cc2n1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ XDH P47989 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ ALOX5 P09917 4/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GSR P00390 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL4249646 1.00 CISD1 (0.40) CISD1TP53RXFP1ENPP2KMT2A
SCHEMBL4238331 0.91 KMT2A (0.36) CISD1RXFP1ENPP2KMT2AMEN1
SCHEMBL4238337 0.91 KMT2A (0.36) CISD1RXFP1ENPP2KMT2AMEN1
SCHEMBL4237289 0.89 NPC1 (0.42) CISD1ENPP2KMT2AMEN1HDAC1
SCHEMBL4237282 0.89 NPC1 (0.42) CISD1ENPP2KMT2AMEN1HDAC1
SCHEMBL4244069 0.85 CISD1 (0.42) CISD1TP53RXFP1ENPP2KMT2A
SCHEMBL4244067 0.85 CISD1 (0.42) CISD1TP53RXFP1ENPP2KMT2A
SCHEMBL4248941 0.84 ENPP2 (0.39) CISD1ENPP2KMT2AMEN1ALOX5
SCHEMBL4248938 0.84 ENPP2 (0.39) CISD1ENPP2KMT2AMEN1ALOX5
SCHEMBL4238386 0.83 PRMT5 (0.37) ENPP2KMT2AMEN1GAAHDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 — — US claimed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 — — EP claimed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 — — WO claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 — — US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 — — US disclosed
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 — — EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 — — WO 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 2650/4885TP53 2336/4885RXFP1 4169/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA CISD1 4327/4885TP53 928/4885RXFP1 2569/4885

“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.