Sugi Predict

Sugi Predict / Compounds / SCHEMBL4247096

SCHEMBL4247096

SCHEMBL4247096

CN(C)CCNc1nc2ccc(/C=C3\SC(Nc4ccccc4Cl)=NC3=O)cc2n1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 5/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ NQO2 P16083 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ NQO1 P15559 1/20 0.34
▸ CISD1 Q9NZ45 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL4247098 1.00 RAD52 (0.36) RAD52KMT2ANQO2TP53ENPP2
SCHEMBL4241997 0.90 TP53 (0.39) RAD52KMT2ATP53ENPP2CISD1
SCHEMBL4242002 0.90 TP53 (0.39) RAD52KMT2ATP53ENPP2CISD1
SCHEMBL4238199 0.85 SMN1; SMN2 (0.40) LCKCYP2D6ALOX5
SCHEMBL4238196 0.85 SMN1; SMN2 (0.40) LCKCYP2D6ALOX5
SCHEMBL4241167 0.84 GSK3B (0.38) KMT2ANQO2ENPP2CISD1PDE4B
SCHEMBL4241164 0.84 GSK3B (0.38) KMT2ANQO2ENPP2CISD1PDE4B
SCHEMBL4237282 0.83 NPC1 (0.42) KMT2AENPP2CISD1LCKALOX5
SCHEMBL4237289 0.83 NPC1 (0.42) KMT2AENPP2CISD1LCKALOX5
SCHEMBL4248116 0.82 TDO2 (0.39) KMT2ANQO2ENPP2NQO1CISD1

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 RAD52 2854/4885KMT2A 2981/4885NQO2 3484/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA RAD52 2855/4885KMT2A 3096/4885NQO2 2350/4885

“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.