SCHEMBL1387010

SCHEMBL1387010

COc1cc(CCc2cnc(NC3CCC(C(C)C)CC3)c3ccccc23)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ APP P05067 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ USP2 O75604 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.34
▸ SYK P43405 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33

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
SCHEMBL4832226 1.00 IRAK4 (0.38) IRAK4GRM4PLA2G7PDE5ALOX
SCHEMBL1383698 0.87 GRM4 (0.39) IRAK4GRM4ACHECYP1A2CYP3A4
SCHEMBL4825401 0.87 GRM4 (0.39) IRAK4GRM4ACHECYP1A2CYP3A4
SCHEMBL6223677 0.81 GRM4 (0.43) IRAK4GRM4LMNACYP1A2CYP2D6
SCHEMBL1383329 0.81 GRM4 (0.43) IRAK4GRM4LMNACYP1A2CYP2D6
SCHEMBL6223756 0.81 GRM4 (0.43) IRAK4GRM4LMNACYP1A2CYP2D6
SCHEMBL1930677 0.80 SHMT2 (0.42) IRAK4GRM4MEN1KMT2AHSD17B10
SCHEMBL6221506 0.80 KCNH2 (0.41) GRM4PDE5AUSP2LMNACYP1A2
SCHEMBL1383320 0.80 KCNH2 (0.41) GRM4PDE5AUSP2LMNACYP1A2
SCHEMBL1382994 0.79 GRM4 (0.40) IRAK4GRM4PLA2G7LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837864-B2 — — 2011-12-14 — — JP claimed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US claimed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP claimed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US claimed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US claimed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US claimed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP claimed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO claimed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US disclosed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP disclosed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US disclosed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — 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-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR IRAK4 633/4885GRM4 3442/4885PLA2G7 1773/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR IRAK4 774/4885GRM4 3225/4885PLA2G7 1682/4885

“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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