SCHEMBL4829978

SCHEMBL4829978

COc1cc(/C=C/c2c[nH]c(=O)c3ccccc23)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
IDH1 O75874 1/20 0.40
IP6K1 Q92551 3/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
MEN1 O00255 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
USP2 O75604 2/20 0.37
NQO2 P16083 1/20 0.36
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 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
SCHEMBL4829984 1.00 AKT1 (0.43) AKT1LMNAMAPTIDH1IP6K1
SCHEMBL2955141 0.74 CYP1A2 (0.51) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL2955136 0.74 CYP1A2 (0.51) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL4832335 0.72 PADI4 (0.44) LMNAMAPTIP6K1IP6K3IP6K2
SCHEMBL4834327 0.72 PADI4 (0.44) LMNAMAPTIP6K1IP6K3IP6K2
SCHEMBL4832042 0.71 TDO2 (0.60) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL4829935 0.71 TDO2 (0.60) MAPTMEN1RAB9AKMT2ANPC1
SCHEMBL4830035 0.71 LOX (0.43) AKT1IP6K1IP6K3IP6K2RAB9A
SCHEMBL2959452 0.70 NPC1 (0.52) MAPTIP6K1MEN1RAB9AKMT2A
SCHEMBL2959455 0.70 NPC1 (0.52) MAPTIP6K1MEN1RAB9AKMT2A

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 AKT1 1039/4885LMNA 4241/4885MAPT 2394/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR AKT1 985/4885LMNA 4369/4885MAPT 1907/4885

“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.