SCHEMBL2979170

SCHEMBL2979170

CC(=O)N1N=CC=Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.42
P2RX1 P51575 5/20 0.42
P2RX3 P56373 5/20 0.42
P2RX7 Q99572 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PTBP1 P26599 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SCN4A P35499 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
GAA P10253 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL5068751 0.85 P2RX4 (0.42) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL7334705 0.83 LMNA (0.51) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL11741313 0.83 P2RX4 (0.43) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL3100027 0.81 P2RX4 (0.54) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL27285585 0.80 LMNA (0.40) P2RX4P2RX1P2RX3P2RX7LMNA
SCHEMBL15865153 0.80 LMNA (0.40) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL5806375 0.80 LMNA (0.37) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL6994927 0.79 BCHE (0.43) P2RX4P2RX1P2RX3P2RX7SMN1; SMN2
SCHEMBL7339446 0.77 LMNA (0.40) P2RX4P2RX1P2RX3LMNATSHR
SCHEMBL8423850 0.76 P2RX4 (0.37) P2RX4P2RX1P2RX3P2RX7SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781427-B2 Process for preparing quinoline compounds and products obtained therefrom WYETH LLC (US) 2010-08-24 US disclosed
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM WYETH (US) 2010-08-05 US disclosed
EP-1807428-A2 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM Wyeth (US) 2007-07-18 EP disclosed
US-20060122385-A1 Process for preparing quinoline compounds and products obtained therefrom WYETH (US) 2006-06-08 US disclosed
WO-2006052768-A2 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM WYETH (US) 2006-05-18 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 (2 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-20060122385-A1 Process for preparing quinoline compounds and products obtained therefrom NNMT, QTRT1, HNMT P2RX4 983/4885P2RX1 1507/4885P2RX3 1448/4885
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM NNMT, QTRT1, HNMT P2RX4 983/4885P2RX1 1507/4885P2RX3 1448/4885

“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.