SCHEMBL2116625

SCHEMBL2116625

Cc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.52
CCR1 P32246 1/20 0.50
RAB9A P51151 1/20 0.50
CCR5 P51681 1/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.45
PARP1 P09874 1/20 0.45
CYP1A2 P05177 1/20 0.44
GLO1 Q04760 2/20 0.42
DHFR P00374 1/20 0.42
SLC40A1 Q9NP59 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL2115749 0.88 CCR1 (0.64) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL3655227 0.82 CCR1 (0.61) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL17932799 0.81 ENPP3 (0.43) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL12269037 0.80 METAP2 (0.46) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL25053069 0.78 METAP2 (0.45) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL12268984 0.78 METAP2 (0.45) METAP2CCR1RAB9ACCR5MAPT
SCHEMBL13689579 0.78 NCF1 (0.52) PARP1DHFRALDH1A1TSHRHPGD
SCHEMBL2116332 0.78 PIM1 (0.44) RAB9AMAPTL3MBTL1CYP1A2SLC40A1
SCHEMBL13078998 0.77 DHFR (0.49) MAPTL3MBTL1DHFRALDH1A1CYP2A6
SCHEMBL4402516 0.76 MAPT (0.51) MAPTL3MBTL1CYP1A2DHFRALDH1A1

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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN 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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN 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 METAP2 2222/4885CCR1 4793/4885RAB9A 1148/4885

“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.