SCHEMBL2115749

SCHEMBL2115749

Cc1ccc2cccc(-c3cccc4ccc(C)nc34)c2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.64
CCR5 P51681 2/20 0.64
RAB9A P51151 1/20 0.64
METAP2 P50579 1/20 0.63
PARP1 P09874 1/20 0.53
GLO1 Q04760 2/20 0.50
CYP1A2 P05177 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SLC40A1 Q9NP59 2/20 0.45
AGTR1 P30556 1/20 0.45
PAX8 Q06710 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CCR8 P51685 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL2116625 0.88 METAP2 (0.52) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL12269037 0.82 METAP2 (0.46) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL25302893 0.81 CRHR1 (0.51) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL6361205 0.81 METAP2 (0.45) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL12268984 0.81 METAP2 (0.45) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL806441 0.81 CCR1 (0.64) CCR1CCR5RAB9AMETAP2PARP1
SCHEMBL22969587 0.80 METAP2 (0.44) CCR1CCR5RAB9AMETAP2PARP1
Neocuproine SCHEMBL124563 0.79 CCR1 (1.00) CCR1CCR5RAB9AMETAP2PARP1
Neocuproine SCHEMBL29367091 0.79 CCR1 (1.00) CCR1CCR5RAB9AMETAP2PARP1
Neocuproine SCHEMBL11672280 0.79 CCR1 (1.00) CCR1CCR5RAB9AMETAP2PARP1

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 6 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
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 CCR1 4793/4885CCR5 4358/4885RAB9A 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.