SCHEMBL4278938

SCHEMBL4278938

Cc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCNC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.47
IRAK1 P51617 1/20 0.46
TOP2A P11388 3/20 0.45
HSP90AB1 P08238 2/20 0.45
CHEK1 O14757 1/20 0.44
ATR Q13535 2/20 0.43
F10 P00742 7/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL4278942 0.90 NPC1 (0.56) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL4278927 0.90 NPC1 (0.56) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL13608563 0.89 IRAK4 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL4276003 0.89 IRAK4 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL4269145 0.89 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL4269132 0.89 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
SCHEMBL4277311 0.89 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
Hydrochloric Acid SCHEMBL4270673 0.88 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
Hydrochloric Acid SCHEMBL4281667 0.88 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1
Hydrochloric Acid SCHEMBL4270685 0.88 F10 (0.45) IRAK4IRAK1TOP2AHSP90AB1CHEK1

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-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 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 (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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 IRAK4 3238/4885IRAK1 1284/4885TOP2A 4081/4885

“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.