SCHEMBL3586928

SCHEMBL3586928

CC(=O)Nc1cc(Cc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.41
EGFR P00533 2/20 0.40
KDR P35968 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK8 P45983 1/20 0.38
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP6 P55212 1/20 0.36
NSD2 O96028 1/20 0.35
SORT1 Q99523 1/20 0.35
DHODH Q02127 2/20 0.35

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
SCHEMBL3595587 0.90 TBXAS1 (0.46) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL272767 0.89 SCN9A (0.42) L3MBTL1EGFRKDRKDM4EMAPK8
SCHEMBL273264 0.82 TBXAS1 (0.48) TBXAS1L3MBTL1PTPN1KDM4ELMNA
SCHEMBL3589587 0.81 TBXAS1 (0.47) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL3583506 0.81 TBXAS1 (0.47) TBXAS1PTPN1KDRNR4A1NR4A2
SCHEMBL275024 0.76 KDR (0.60) KDR
SCHEMBL27750917 0.75 TBXAS1 (0.43) TBXAS1L3MBTL1PTPN1KDRKDM4E
SCHEMBL22592285 0.74 L3MBTL1 (0.54) L3MBTL1EGFRKDRLMNAMAPK8
SCHEMBL22592389 0.71 NLRP3 (0.49) NPC1RAB9AKMT2A
SCHEMBL3304985 0.71 KDR (0.58) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
CN-101443318-A Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2009-05-27 CN claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS TBXAS1 905/4885L3MBTL1 4785/4885PTPN1 1914/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 TBXAS1 872/4885L3MBTL1 3876/4885PTPN1 1611/4885

“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.