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SCHEMBL2116012

SCHEMBL2116012

O=P(O)(O)c1ccc2cc(-c3cccs3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ PLAUR Q03405 5/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ADRB1 P08588 1/20 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
SCHEMBL2116292 0.84 KDM4E (0.37) PIM1KDM4EALDH1A1LMNAHTT
SCHEMBL2116296 0.83 PSMB5 (0.33) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL2118764 0.81 FDPS (0.46) PIM1PLAURKDM4EALDH1A1LMNA
Lithium SCHEMBL2119069 0.80 FDPS (0.45) PIM1PLAURKDM4EALDH1A1LMNA
SCHEMBL2119059 0.80 FDPS (0.45) PIM1PLAURKDM4EALDH1A1LMNA
SCHEMBL2117676 0.80 HSD17B1 (0.43) KDM4EALDH1A1LMNAHTTMAPT
Lithium Ion SCHEMBL2119062 0.80 PIM1 (0.39) PIM1PLAURKDM4EALDH1A1LMNA
SCHEMBL2116835 0.78 PIM1 (0.34) PIM1KDM4EALDH1A1MAPTGAA
SCHEMBL2122445 0.78 ACP3 (0.39) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL2116297 0.78 GPR84 (0.35) KDM4EALDH1A1MAPTGAAL3MBTL1

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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 — — US 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
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 PIM1 2265/4885PLAUR 4700/4885KDM4E 2805/4885

“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.