Sugi Predict

Sugi Predict / Compounds / SCHEMBL254830

SCHEMBL254830

SCHEMBL254830

O=S(=O)(c1ccc(F)cc1)c1cc2ccccc2c(Nc2cc[nH]n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.38
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP9 P55211 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35

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
SCHEMBL173272 0.82 AKR1B1 (0.39) AKR1B1COMTCHEK1CDK8NEK2
SCHEMBL177328 0.82 AURKA (0.52) AURKANTRK1AURKB
SCHEMBL178180 0.82 AURKA (0.40) AKR1B1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL174447 0.80 CHEK1 (0.37) AKR1B1MAPTKDM4EMEN1APAF1
SCHEMBL174448 0.78 HTR6 (0.38) MAPTKDM4EMEN1KMT2ACOMT
SCHEMBL15366689 0.77 SOD1 (0.48) AKR1B1MAPTKDM4EMEN1APAF1
SCHEMBL159667 0.77 JAK2 (0.43) KDRLIMK1AURKANTRK1HTR6
SCHEMBL163371 0.75 EGFR (0.47) MAPTMEN1GAAKMT2AEGFR
SCHEMBL15366464 0.75 JAK2 (0.38) KEAP1NFE2L2KDRCHEK1CDK8
SCHEMBL165435 0.75 GRK6 (0.39) MAPTKDM4EMEN1ALDH1A1GAA

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-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 — — EP claimed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 — — US claimed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 — — EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 — — US disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 — — US disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 — — US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 — — 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 (1 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-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 AKR1B1 4701/4885MAPT 2220/4885KDM4E 1365/4885

“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.