SCHEMBL4825401

SCHEMBL4825401

CC(C)[C@H]1CC[C@H](Nc2ncc(CCc3ccnc(O)c3)c3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.39
▸ IRAK4 Q9NWZ3 5/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NR3C2 P08235 4/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CDK12 Q9NYV4 1/20 0.31
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30

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
SCHEMBL1383698 1.00 GRM4 (0.39) GRM4IRAK4UTS2RACHEKDM4E
SCHEMBL4832226 0.87 IRAK4 (0.38) GRM4IRAK4ACHEHSD17B10NR3C2
SCHEMBL1387010 0.87 IRAK4 (0.38) GRM4IRAK4ACHEHSD17B10NR3C2
SCHEMBL6223756 0.83 GRM4 (0.43) GRM4IRAK4CYP1A2CYP2D6TYRO3
SCHEMBL6223677 0.83 GRM4 (0.43) GRM4IRAK4CYP1A2CYP2D6TYRO3
SCHEMBL1383329 0.83 GRM4 (0.43) GRM4IRAK4CYP1A2CYP2D6TYRO3
SCHEMBL1382994 0.81 GRM4 (0.40) GRM4IRAK4KDM4EHSD17B10
SCHEMBL4681363 0.79 KDR (0.42) GRM4UTS2RKDM4EHSD17B10
SCHEMBL1930948 0.79 KDR (0.42) GRM4UTS2RKDM4EHSD17B10
SCHEMBL1382638 0.79 GRM4 (0.38) GRM4IRAK4KDM4EHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP 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

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 GRM4 3442/4885IRAK4 633/4885UTS2R 1438/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR GRM4 3225/4885IRAK4 774/4885UTS2R 1233/4885

“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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