Sugi Predict

Sugi Predict / Compounds / SCHEMBL828686

SCHEMBL828686

SCHEMBL828686

CC(c1ccccc1)N(C(=O)OC(C)(C)C)c1cc(C(=NO)C(=O)c2ccc(F)cc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK14 Q16539 7/20 0.34
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TRPM8 Q7Z2W7 3/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTR1E P28566 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31

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
SCHEMBL830914 1.00 ALDH1A1 (0.38) ALDH1A1MAPK14KMT2AMEN1AAK1
SCHEMBL829522 0.89 ALDH1A1 (0.35) ALDH1A1AAK1KDM5AKDM4CKDM5B
SCHEMBL828223 0.89 ALDH1A1 (0.35) ALDH1A1AAK1KDM5AKDM4CKDM5B
SCHEMBL828105 0.87 ALDH1A1 (0.34) ALDH1A1AAK1PROKR1
SCHEMBL829243 0.87 ALDH1A1 (0.34) ALDH1A1AAK1PROKR1
SCHEMBL829906 0.85 SSTR4 (0.33) ALDH1A1AAK1
SCHEMBL828285 0.85 SSTR4 (0.33) ALDH1A1AAK1
SCHEMBL828825 0.82 PROKR1 (0.35) ALDH1A1KMT2AAAK1PROKR1
SCHEMBL828699 0.82 PROKR1 (0.35) ALDH1A1KMT2AAAK1PROKR1
SCHEMBL863156 0.81 POLB (0.39) MAPK14LMNAPOLB

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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 — — US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 — — US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 — — US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 — — US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 — — US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 — — US disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 — — 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 (3 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885MAPK14 53/4885KMT2A 1086/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885MAPK14 53/4885KMT2A 1086/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALDH1A1 1127/4885MAPK14 699/4885KMT2A 3199/4885

“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.