SCHEMBL2979173

SCHEMBL2979173

CC(=O)C1=NNc2ccccc2C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.41
P2RX4 Q99571 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.32
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
MEN1 O00255 1/20 0.30
CYBB P04839 1/20 0.30
APP P05067 1/20 0.30
ALOX15 P16050 1/20 0.30
SNCA P37840 1/20 0.30
KMT2A Q03164 1/20 0.30
NOX3 Q9HBY0 1/20 0.30
NOX4 Q9NPH5 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30
P2RX1 P51575 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL1226277 0.84 MAPT (0.42) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL4058588 0.83 MAPT (0.41) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL7026732 0.83 MAPT (0.41) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL27427681 0.82 SMN1; SMN2 (0.42) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL27600468 0.82 MAPT (0.37) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL2930324 0.80 MAPT (0.38) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL3100030 0.80 ALDH1A1 (0.41) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL7407772 0.80 MAPT (0.35) MAPTGAAP2RX4SMN1; SMN2RAB9A
SCHEMBL4915107 0.79 GAA (0.37) MAPTGAASMN1; SMN2RAB9AALDH1A1
SCHEMBL15865155 0.79 MAPT (0.37) MAPTGAAP2RX4SMN1; SMN2RAB9A

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-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
WO-1998015532-A1 SOLID PHASE SYNTHESIS OF HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 1998-04-16 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 MAPT 1756/4885GAA 1077/4885P2RX4 983/4885
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM NNMT, QTRT1, HNMT MAPT 1756/4885GAA 1077/4885P2RX4 983/4885

“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.