SCHEMBL4832335

SCHEMBL4832335

Cc1ccc(C=Cc2c[nH]c(=O)c3ccccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
IP6K1 Q92551 4/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
TDO2 P48775 3/20 0.40
DPYD Q12882 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PARP1 P09874 1/20 0.36

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
SCHEMBL4834327 1.00 PADI4 (0.44) PADI4IP6K1IP6K3IP6K2TDO2
SCHEMBL4832042 0.81 TDO2 (0.60) TDO2DPYDMEN1NPC1RAB9A
SCHEMBL4829935 0.81 TDO2 (0.60) TDO2DPYDMEN1NPC1RAB9A
SCHEMBL7505673 0.76 PADI4 (0.44) PADI4PARP1
SCHEMBL5752478 0.76 PADI4 (0.44) PADI4PARP1
SCHEMBL5752477 0.76 PADI4 (0.44) PADI4PARP1
SCHEMBL4829984 0.72 AKT1 (0.43) IP6K1IP6K3IP6K2DPYDMEN1
SCHEMBL4829978 0.72 AKT1 (0.43) IP6K1IP6K3IP6K2DPYDMEN1
SCHEMBL13053141 0.70 CYP11B1 (0.55) MEN1NPC1RAB9AKMT2A
SCHEMBL4826181 0.70 PLA2G7 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PADI4 2549/4885IP6K1 723/4885IP6K3 860/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR PADI4 2392/4885IP6K1 994/4885IP6K3 976/4885

“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.