SCHEMBL8286949

SCHEMBL8286949

O=C(Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)c1ccc(F)cc1OC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.52
IRAK1 P51617 1/20 0.51
F10 P00742 6/20 0.44
GPR6 P46095 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42
ATR Q13535 1/20 0.42
SYK P43405 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3903764 0.96 IRAK4 (0.49) IRAK4IRAK1F10GPR6SMN1; SMN2
SCHEMBL8265127 0.92 F10 (0.51) IRAK4IRAK1F10SMN1; SMN2TDP1
Trifluoroacetic Acid SCHEMBL3156028 0.90 F10 (0.47) IRAK4IRAK1F10SMN1; SMN2TDP1
SCHEMBL4277026 0.88 IRAK4 (0.50) IRAK4IRAK1F10NPC1RAB9A
SCHEMBL4277506 0.88 NPC1 (0.58) IRAK4IRAK1F10SMN1; SMN2NPC1
SCHEMBL8286232 0.88 IRAK4 (0.50) IRAK4IRAK1F10NPC1RAB9A
SCHEMBL3905726 0.87 IRAK4 (0.48) IRAK4IRAK1F10SMN1; SMN2NPC1
SCHEMBL4269020 0.87 IRAK4 (0.49) IRAK4IRAK1F10GPR6NPC1
SCHEMBL4279736 0.87 IRAK4 (0.49) IRAK4IRAK1F10NPC1RAB9A
SCHEMBL8285066 0.87 F10 (0.48) IRAK4IRAK1F10NPC1RAB9A

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-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511066-B2 Antithrombotic aromatic ethers ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
US-20070027185-A1 Antithrombotic aromatic ethers ELILILLY AND COMPANY (US) 2007-02-01 US disclosed
WO-2005049604-A2 ANTITHROMBOTIC AROMATIC ETHERS ELI LILLY AND COMPANY (US) 2005-06-02 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-20070027185-A1 Antithrombotic aromatic ethers F2, F11, TFPI IRAK4 1883/4885IRAK1 742/4885F10 14/4885

“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.