SCHEMBL1106600

SCHEMBL1106600

[C-]#[N+]c1ccc(-c2coc(CN)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.39
S1PR1 P21453 15/20 0.36
ENPP3 O14638 2/20 0.34
ENPP1 P22413 1/20 0.34
S1PR3 Q99500 9/20 0.32
LTA4H P09960 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL5122636 0.76 LOXL2 (0.41) IRAK4S1PR1ENPP3ENPP1LTA4H
SCHEMBL10282408 0.74 TP53 (0.43) IRAK4S1PR1S1PR3NOTUM
SCHEMBL16217977 0.74 S1PR1 (0.45) IRAK4S1PR1S1PR3LTA4H
Hydrochloric Acid SCHEMBL16210756 0.73 S1PR1 (0.44) IRAK4S1PR1S1PR3LTA4H
SCHEMBL1106577 0.71 NOTUM (0.64) NOTUM
SCHEMBL1106588 0.71 LMNA (0.39)
SCHEMBL4301035 0.62 HRH3 (0.50)
SCHEMBL1106592 0.61 GFER (0.45) IRAK4
SCHEMBL2707288 0.61 ENPP3 (0.58) IRAK4S1PR1ENPP3ENPP1
SCHEMBL22918669 0.61 ENPP3 (0.62) S1PR1ENPP3ENPP1S1PR3

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 IRAK4 3308/4885S1PR1 2160/4885ENPP3 1266/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 IRAK4 3308/4885S1PR1 2160/4885ENPP3 1266/4885

“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.