Sugi Predict

Sugi Predict / Compounds / SCHEMBL713697

SCHEMBL713697

SCHEMBL713697

CC(C)(C)[S+]([O-])/N=C/c1cc2ccc(F)cc2nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ KMT2A Q03164 7/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 8/20 0.35
▸ MEN1 O00255 6/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ THRB P10828 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL713699 1.00 GAA (0.43) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL713696 1.00 GAA (0.43) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL713698 1.00 GAA (0.43) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22158834 0.84 ALDH1A1 (0.52) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22158835 0.84 ALDH1A1 (0.52) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22158833 0.84 ALDH1A1 (0.52) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL17600984 0.82 CYP1A2 (0.35) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL17600985 0.82 CYP1A2 (0.35) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL17601123 0.82 KDM4E (0.40) GAAKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL22159261 0.82 KDM4E (0.40) GAAKMT2AKDM4EL3MBTL1ALDH1A1

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
EP-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 — — EP disclosed
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 — — EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 — — US disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 — — US disclosed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 — — US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 — — US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 — — 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 GAA 1302/4885KMT2A 1670/4885KDM4E 2430/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA GAA 2197/4885KMT2A 2560/4885KDM4E 2074/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA GAA 1980/4885KMT2A 4018/4885KDM4E 3834/4885

“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.