Sugi Predict

Sugi Predict / Compounds / SCHEMBL2117060

SCHEMBL2117060

SCHEMBL2117060

c1csc(-c2cc(-c3cccc4ccccc34)c3nc(-c4nn[nH]n4)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTM2 P28161 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ CSNK2A2 P19784 3/20 0.36
▸ CSNK2B P67870 3/20 0.36
▸ CSNK2A1 P68400 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ PLAUR Q03405 2/20 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
SCHEMBL2116320 0.78 HTR2C (0.45) PIM1ALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL3399048 0.76 PIM1 (0.41) PIM1ALDH1A1L3MBTL1RAB9AKDM4E
SCHEMBL2116537 0.75 PIM1 (0.50) PIM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2118764 0.74 FDPS (0.46) PIM1ALDH1A1MEN1KMT2AKDM4E
Lithium SCHEMBL2119069 0.74 FDPS (0.45) PIM1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2116012 0.74 PIM1 (0.39) PIM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2119059 0.74 FDPS (0.45) PIM1ALDH1A1MEN1KMT2AKDM4E
Lithium Ion SCHEMBL2119062 0.73 PIM1 (0.39) PIM1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2118114 0.73 MAPT (0.49) CSNK2A1ALDH1A1MAPT
SCHEMBL2116560 0.69 KMT2A (0.45) ALDH1A1KMT2AL3MBTL1RAB9AKDM4E

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 — — EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 — — EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 — — 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 GSTM2 1581/4885PIM1 2265/4885CSNK2A2 3565/4885

“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.