Sugi Predict

Sugi Predict / Compounds / SCHEMBL920429

SCHEMBL920429

SCHEMBL920429

[c]1ccc(Oc2cnccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ KMT2A Q03164 2/20 0.50
▸ LTA4H P09960 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ PLAAT3 P53816 1/20 0.37
▸ PLAAT5 Q96KN8 1/20 0.37
▸ PLAAT2 Q9NWW9 1/20 0.37
▸ PLAAT4 Q9UL19 1/20 0.37
▸ P2RX3 P56373 1/20 0.35
▸ GCK P35557 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34

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
SCHEMBL4272944 0.80 KDM4E (0.61) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL922397 0.79 KDM4E (0.47) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL15955267 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL171894 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL29580801 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL4799634 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL4799638 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL5317075 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL789285 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2
SCHEMBL29415425 0.77 KDM4E (0.62) KDM4EKMT2ALTA4HPTGS2SMN1; SMN2

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP claimed
JP-2005536450-A — — 2005-12-02 — — JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO claimed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 — — US disclosed
US-9283226-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-03-15 — — US disclosed
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2014-09-18 — — US disclosed
US-8541461-B2 Pharmaceutical combinations comprising pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2013-09-24 — — US disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 — — EP disclosed
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2013-01-03 — — US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 — — EP disclosed
WO-2005061463-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-07-07 — — WO disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 — — EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 — — US disclosed
US-20030158186-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 — — US disclosed
WO-2003059265-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 — — WO disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — 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 (5 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 KDM4E 1528/4885KMT2A 1794/4885LTA4H 1706/4885
US-20130005702-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS PRKCB, MAP3K19, MAP4K2 KDM4E 1747/4885KMT2A 2028/4885LTA4H 4308/4885
US-20140271662-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 KDM4E 2466/4885KMT2A 1820/4885LTA4H 3989/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 KDM4E 2466/4885KMT2A 1820/4885LTA4H 3989/4885
US-20030158186-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 KDM4E 2094/4885KMT2A 2747/4885LTA4H 2897/4885

“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.