SCHEMBL272767

SCHEMBL272767

COC(=O)c1cccc2cc(Cc3cc(NC(C)=O)ncn3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 2/20 0.39
MAPK8 P45983 1/20 0.39
KDR P35968 3/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
FGFR1 P11362 1/20 0.37
EGFR P00533 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 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
SCHEMBL3586928 0.89 TBXAS1 (0.43) L3MBTL1DHODHMAPK8KDRNPC1
SCHEMBL3595587 0.79 TBXAS1 (0.46) DHODHKDR
SCHEMBL345117 0.74 DHODH (0.50) SCN9AL3MBTL1DHODHMAPK8KDR
SCHEMBL344926 0.73 DHODH (0.53) SCN9ADHODHMAPK8NPC1POLB
SCHEMBL27592569 0.73 CA12 (0.53) SCN9ADHODHMAPK8NPC1POLB
SCHEMBL272870 0.73 KDR (0.58) KDR
SCHEMBL22592285 0.72 L3MBTL1 (0.54) L3MBTL1MAPK8KDRPOLBEGFR
SCHEMBL275086 0.72 DHODH (0.48) SCN9AL3MBTL1DHODHMAPK8KMT2A
SCHEMBL273388 0.71 AKR1B1 (0.54) SCN9AL3MBTL1DHODHMAPK8POLB
SCHEMBL273264 0.71 TBXAS1 (0.48) L3MBTL1DHODHPOLBRAB9AKDM4E

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
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP 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 SCN9A 534/4885L3MBTL1 4785/4885DHODH 2404/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 SCN9A 3053/4885L3MBTL1 3876/4885DHODH 2882/4885

“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.