SCHEMBL1442008

SCHEMBL1442008

CN1CCN(C2CC(n3ccc4c(Cl)ncnc43)C2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ UBA6 A0AVT1 3/20 0.35
▸ RET P07949 4/20 0.34
▸ KIF5B P33176 4/20 0.34
▸ KDR P35968 3/20 0.34
▸ PIP4K2A P48426 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CCDC6 Q16204 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ NNMT P40261 7/20 0.32
▸ SETD2 Q9BYW2 1/20 0.32

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
SCHEMBL1933318 0.79 RET (0.52) RETKIF5BKDRKCNH2CCDC6
SCHEMBL1443270 0.78 ADK (0.43) RETKIF5BKDRTLR9TLR8
SCHEMBL27864278 0.78 NNMT (0.33) UBA6RETKIF5BKDRPIP4K2A
SCHEMBL27864474 0.77 RET (0.39) RETKIF5BKDRPIP4K2APRMT5
SCHEMBL16769947 0.75 PRMT5 (0.44) UBA6PIP4K2APRMT5WDR77SLC22A12
SCHEMBL25611996 0.73 PIP4K2A (0.44) UBA6KDRPIP4K2APRMT5WDR77
SCHEMBL23892218 0.73 PRMT5 (0.47) UBA6PIP4K2APRMT5WDR77SLC22A12
SCHEMBL16769943 0.73 SLC22A12 (0.40) PIP4K2APRMT5WDR77SLC22A12NNMT
SCHEMBL16967987 0.72 PIP4K2A (0.49) PIP4K2APRMT5WDR77SLC22A12
SCHEMBL16943626 0.71 UBA6 (0.42) UBA6PIP4K2APRMT5WDR77NNMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475668-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS Novartis AG (CH) 2012-07-18 — — EP disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 — — US disclosed
WO-2011029915-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2011-03-17 — — 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 UBA6 3416/4885RET 853/4885KIF5B 2516/4885

“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.

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